N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline

C18H23ClN2 — CID 43435845

IUPACN-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1cccc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H23ClN2/c1-3-21(4-2)14-16-6-5-7-18(12-16)20-13-15-8-10-17(19)11-9-15/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyVYVYVPSGRILUPI-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.79
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline

N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline (PubChem CID 43435845) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline
PubChem CID43435845
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1cccc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H23ClN2/c1-3-21(4-2)14-16-6-5-7-18(12-16)20-13-15-8-10-17(19)11-9-15/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyVYVYVPSGRILUPI-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline 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

3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
CID 43727006
3-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66398542
N-[(5-bromothiophen-3-yl)methyl]-3-(diethylaminomethyl)aniline
CID 43727058
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 103720547
3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 43435749
6-[[3-(diethylaminomethyl)anilino]methyl]pyridin-3-ol
CID 79781685
N-[(3,5-dichlorophenyl)methyl]-3-ethylaniline
CID 60788560
N-[(4-aminophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 83962509
N-[[3-[(3-chloro-4-fluoroanilino)methyl]phenyl]methyl]-N-ethylhydroxylamine
CID 143517949
N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 106816343

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline (CID 43435845) is N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline is CCN(CC)Cc1cccc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline?
The InChIKey is VYVYVPSGRILUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-3-21(4-2)14-16-6-5-7-18(12-16)20-13-15-8-10-17(19)11-9-15/h5-12,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline?
N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline has a molecular weight of 302.85 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline is sourced from PubChem (CID 43435845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).