1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine

C20H21Cl2N — CID 70313038

IUPAC1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)C1=Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H21Cl2N/c1-3-20(23-2)15-10-13-6-4-5-7-16(13)17(11-15)14-8-9-18(21)19(22)12-14/h4-10,12,17,20,23H,3,11H2,1-2H3/t17-,20?/m0/s1
InChIKeyUMNDAIOLBYBJFW-DIMJTDRSSA-N
MW346.30 g/mol
LogP5.91
Rot. Bonds4

About 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine

1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine (PubChem CID 70313038) has the molecular formula C20H21Cl2N and a molecular weight of 346.30 g/mol. Its IUPAC name is 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine
PubChem CID70313038
Molecular FormulaC20H21Cl2N
Molecular Weight346.30 g/mol
Exact Mass345.11
IUPAC Name1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)C1=Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H21Cl2N/c1-3-20(23-2)15-10-13-6-4-5-7-16(13)17(11-15)14-8-9-18(21)19(22)12-14/h4-10,12,17,20,23H,3,11H2,1-2H3/t17-,20?/m0/s1
InChIKeyUMNDAIOLBYBJFW-DIMJTDRSSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.30
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-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

tert-butyl N-[1-[4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]ethyl]carbamate
CID 66808904
(1S,4S)-4-(3,4-dichlorophenyl)-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 101168921
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
CID 54553970
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
(1S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408686
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408687
1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene
CID 59143933
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;methanol;hydrochloride
CID 69478008
(2Z)-4-(3,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3,4-dihydronaphthalen-1-one
CID 67426551
6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline
CID 3344455
2-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-iodoamino]ethane-1,1-diol
CID 143944715
(NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 87161945

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine (CID 70313038) is 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine is CCC(NC)C1=Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine?
The InChIKey is UMNDAIOLBYBJFW-DIMJTDRSSA-N. The full InChI is InChI=1S/C20H21Cl2N/c1-3-20(23-2)15-10-13-6-4-5-7-16(13)17(11-15)14-8-9-18(21)19(22)12-14/h4-10,12,17,20,23H,3,11H2,1-2H3/t17-,20?/m0/s1.
What are the key properties of 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine?
1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine has a molecular weight of 346.30 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 70313038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).