N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine

C19H24ClN — CID 116545418

IUPACN-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1-c1cccc(CC(C)C)c1
InChIInChI=1S/C19H24ClN/c1-4-21-13-17-8-9-18(20)12-19(17)16-7-5-6-15(11-16)10-14(2)3/h5-9,11-12,14,21H,4,10,13H2,1-3H3
InChIKeyFTKYWQYQOHKNJI-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.32
Rot. Bonds6

About N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine

N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 116545418) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
PubChem CID116545418
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1-c1cccc(CC(C)C)c1
InChIInChI=1S/C19H24ClN/c1-4-21-13-17-8-9-18(20)12-19(17)16-7-5-6-15(11-16)10-14(2)3/h5-9,11-12,14,21H,4,10,13H2,1-3H3
InChIKeyFTKYWQYQOHKNJI-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]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

N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
CID 116545389
4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene
CID 146207453
N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine
CID 115482556
N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine
CID 116545338
N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine
CID 115484378
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435
N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137
3-(5-chloro-2-ethylphenyl)phenol
CID 142314632
N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
CID 62963734
1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545376
N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine
CID 103144004

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine (CID 116545418) is N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1-c1cccc(CC(C)C)c1.
What is the InChIKey of N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is FTKYWQYQOHKNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-21-13-17-8-9-18(20)12-19(17)16-7-5-6-15(11-16)10-14(2)3/h5-9,11-12,14,21H,4,10,13H2,1-3H3.
What are the key properties of N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine?
N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 116545418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).