(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

C18H22ClN — CID 81352293

IUPAC(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CN[C@H](C)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H22ClN/c1-12-9-14(3)17(10-13(12)2)11-20-15(4)16-5-7-18(19)8-6-16/h5-10,15,20H,11H2,1-4H3/t15-/m1/s1
InChIKeyKVHMZYPDASDETK-OAHLLOKOSA-N
MW287.83 g/mol
LogP5.12
Rot. Bonds4

About (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 81352293) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID81352293
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CN[C@H](C)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H22ClN/c1-12-9-14(3)17(10-13(12)2)11-20-15(4)16-5-7-18(19)8-6-16/h5-10,15,20H,11H2,1-4H3/t15-/m1/s1
InChIKeyKVHMZYPDASDETK-OAHLLOKOSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)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

(1S)-1-(4-bromophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81360176
1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43221514
1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43080713
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30621148
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
4-[[1-(4-chlorophenyl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953063
N-[(4-chloro-2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114841774
N-[(4-chloro-2-methylphenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 104853881

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (CID 81352293) is (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CN[C@H](C)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is KVHMZYPDASDETK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12-9-14(3)17(10-13(12)2)11-20-15(4)16-5-7-18(19)8-6-16/h5-10,15,20H,11H2,1-4H3/t15-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 287.83 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 81352293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).