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

C17H17Cl2N — CID 50993865

IUPAC(2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN[C@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1
InChIKeyKDERKEZKMQCRPQ-DZGCQCFKSA-N
MW306.24 g/mol
LogP4.66
Rot. Bonds2

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

(2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 50993865) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is (2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID50993865
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name(2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN[C@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1
InChIKeyKDERKEZKMQCRPQ-DZGCQCFKSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 50993865) is (2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN[C@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KDERKEZKMQCRPQ-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1.
What are the key properties of (2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 306.24 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 50993865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).