(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine

C15H21Cl2N — CID 81384496

IUPAC(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cc(Cl)ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-11(12-5-3-2-4-6-12)18-10-13-9-14(16)7-8-15(13)17/h7-9,11-12,18H,2-6,10H2,1H3/t11-/m0/s1
InChIKeyYWGWVQXGWWYAMQ-NSHDSACASA-N
MW286.25 g/mol
LogP5.05
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine (PubChem CID 81384496) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine
PubChem CID81384496
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cc(Cl)ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-11(12-5-3-2-4-6-12)18-10-13-9-14(16)7-8-15(13)17/h7-9,11-12,18H,2-6,10H2,1H3/t11-/m0/s1
InChIKeyYWGWVQXGWWYAMQ-NSHDSACASA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine 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

4-chloro-2-[[[(1S)-1-cycloheptylethyl]amino]methyl]phenol
CID 81389866
(1R)-N-[(2-chloro-5-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384193
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384533
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-cyclohexylethanamine
CID 104862320
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348
N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768975
[1-cyclohexyl-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105201940
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine
CID 83231090
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
CID 81394526

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine (CID 81384496) is (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine is C[C@H](NCc1cc(Cl)ccc1Cl)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is YWGWVQXGWWYAMQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-11(12-5-3-2-4-6-12)18-10-13-9-14(16)7-8-15(13)17/h7-9,11-12,18H,2-6,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine has a molecular weight of 286.25 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 81384496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).