3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline

C18H23ClN2 — CID 115342075

IUPAC3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline
SMILESCC(c1ccccc1Cl)N(C)CCCc1cccc(N)c1
InChIInChI=1S/C18H23ClN2/c1-14(17-10-3-4-11-18(17)19)21(2)12-6-8-15-7-5-9-16(20)13-15/h3-5,7,9-11,13-14H,6,8,12,20H2,1-2H3
InChIKeyLIHRBTZTKSJQEG-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.55
Rot. Bonds6

About 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline

3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline (PubChem CID 115342075) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline
PubChem CID115342075
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline
SMILESCC(c1ccccc1Cl)N(C)CCCc1cccc(N)c1
InChIInChI=1S/C18H23ClN2/c1-14(17-10-3-4-11-18(17)19)21(2)12-6-8-15-7-5-9-16(20)13-15/h3-5,7,9-11,13-14H,6,8,12,20H2,1-2H3
InChIKeyLIHRBTZTKSJQEG-UHFFFAOYSA-N
XLogP4.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]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

N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 62985212
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
N'-[1-(2-chlorophenyl)ethyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106708082
2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 62979816
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251856
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 62499997
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
CID 65350312

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline?
The IUPAC name of 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline (CID 115342075) is 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline.
What is the SMILES notation for 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline?
The canonical SMILES for 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline is CC(c1ccccc1Cl)N(C)CCCc1cccc(N)c1.
What is the InChIKey of 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline?
The InChIKey is LIHRBTZTKSJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-14(17-10-3-4-11-18(17)19)21(2)12-6-8-15-7-5-9-16(20)13-15/h3-5,7,9-11,13-14H,6,8,12,20H2,1-2H3.
What are the key properties of 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline?
3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline has a molecular weight of 302.85 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline is sourced from PubChem (CID 115342075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).