4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline

C17H21ClN2 — CID 62979806

IUPAC4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline
SMILESCc1cc(CN)ccc1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-12-10-14(11-19)4-9-17(12)20(3)13(2)15-5-7-16(18)8-6-15/h4-10,13H,11,19H2,1-3H3
InChIKeyCCAYTCWNZDDEHF-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.30
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline

4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline (PubChem CID 62979806) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline
PubChem CID62979806
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline
SMILESCc1cc(CN)ccc1N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-12-10-14(11-19)4-9-17(12)20(3)13(2)15-5-7-16(18)8-6-15/h4-10,13H,11,19H2,1-3H3
InChIKeyCCAYTCWNZDDEHF-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine
CID 62979678
4-(2-aminoethyl)-2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 81159454
4-(aminomethyl)-2-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63087520
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 102813927
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 102662933
5-chloro-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 114846633
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 115366851
2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 62980335
4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 60930401

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline (CID 62979806) is 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline is Cc1cc(CN)ccc1N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline?
The InChIKey is CCAYTCWNZDDEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-10-14(11-19)4-9-17(12)20(3)13(2)15-5-7-16(18)8-6-15/h4-10,13H,11,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline?
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline has a molecular weight of 288.82 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline is sourced from PubChem (CID 62979806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).