(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine

C15H15Cl2N — CID 961193

IUPAC(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
SMILESC[C@H](NCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2N/c1-11(12-6-3-2-4-7-12)18-10-13-14(16)8-5-9-15(13)17/h2-9,11,18H,10H2,1H3/t11-/m0/s1
InChIKeySLHBVJNLPFZRJQ-NSHDSACASA-N
MW280.20 g/mol
LogP4.84
Rot. Bonds4

About (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine

(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine (PubChem CID 961193) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
PubChem CID961193
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
SMILESC[C@H](NCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2N/c1-11(12-6-3-2-4-7-12)18-10-13-14(16)8-5-9-15(13)17/h2-9,11,18H,10H2,1H3/t11-/m0/s1
InChIKeySLHBVJNLPFZRJQ-NSHDSACASA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine 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

(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-phenylethanamine
CID 83168346
(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 81355291
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 51991944
2-[[[(1S)-1-(3-bromophenyl)ethyl]amino]methyl]-3-chlorophenol
CID 114318274
3-chloro-2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 78959543
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine (CID 961193) is (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine is C[C@H](NCc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine?
The InChIKey is SLHBVJNLPFZRJQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-11(12-6-3-2-4-7-12)18-10-13-14(16)8-5-9-15(13)17/h2-9,11,18H,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine?
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine has a molecular weight of 280.20 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 961193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).