(1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C24H23Cl2NO — CID 69189375

IUPAC(1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(CN[C@@H]2CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1
InChIInChI=1S/C24H23Cl2NO/c1-28-18-9-6-16(7-10-18)15-27-24-13-11-19(20-4-2-3-5-21(20)24)17-8-12-22(25)23(26)14-17/h2-10,12,14,19,24,27H,11,13,15H2,1H3/t19-,24-/m1/s1
InChIKeyWVCVCXUASJYKQR-NTKDMRAZSA-N
MW412.36 g/mol
LogP6.76
Rot. Bonds5

About (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 69189375) has the molecular formula C24H23Cl2NO and a molecular weight of 412.36 g/mol. Its IUPAC name is (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID69189375
Molecular FormulaC24H23Cl2NO
Molecular Weight412.36 g/mol
Exact Mass411.12
IUPAC Name(1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(CN[C@@H]2CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1
InChIInChI=1S/C24H23Cl2NO/c1-28-18-9-6-16(7-10-18)15-27-24-13-11-19(20-4-2-3-5-21(20)24)17-8-12-22(25)23(26)14-17/h2-10,12,14,19,24,27H,11,13,15H2,1H3/t19-,24-/m1/s1
InChIKeyWVCVCXUASJYKQR-NTKDMRAZSA-N
XLogP6.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.36
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4S)-4-(3,4-dichlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 164611414
(1S,4S)-4-(3,4-dichlorophenyl)-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 101168921
(1S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408686
[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]hydrazine
CID 67940115
N'-[(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butane-1,4-diamine
CID 164629050
8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461632
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide;(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 174797164
[(5S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
CID 59274170
(2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 163242495
(1S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 131698545
(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 58591995
(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408774

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 69189375) is (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc(CN[C@@H]2CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1.
What is the InChIKey of (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WVCVCXUASJYKQR-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H23Cl2NO/c1-28-18-9-6-16(7-10-18)15-27-24-13-11-19(20-4-2-3-5-21(20)24)17-8-12-22(25)23(26)14-17/h2-10,12,14,19,24,27H,11,13,15H2,1H3/t19-,24-/m1/s1.
What are the key properties of (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 412.36 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 69189375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).