4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline

C17H21ClN2 — CID 62979024

IUPAC4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
SMILESCc1cc(N(C)C(C)c2ccc(Cl)cc2)ccc1CN
InChIInChI=1S/C17H21ClN2/c1-12-10-17(9-6-15(12)11-19)20(3)13(2)14-4-7-16(18)8-5-14/h4-10,13H,11,19H2,1-3H3
InChIKeyBWQHQKLVSDWWSS-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.30
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline

4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline (PubChem CID 62979024) 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,3-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
PubChem CID62979024
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
SMILESCc1cc(N(C)C(C)c2ccc(Cl)cc2)ccc1CN
InChIInChI=1S/C17H21ClN2/c1-12-10-17(9-6-15(12)11-19)20(3)13(2)14-4-7-16(18)8-5-14/h4-10,13H,11,19H2,1-3H3
InChIKeyBWQHQKLVSDWWSS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 115366851
4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
CID 62134512
4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzenecarbothioamide
CID 81269942
4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde
CID 63535809
2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 62980335
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 62128610
4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline
CID 62129455
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline
CID 62979806
4-(bromomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 107083095
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 102813927
(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941055

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline (CID 62979024) is 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline is Cc1cc(N(C)C(C)c2ccc(Cl)cc2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline?
The InChIKey is BWQHQKLVSDWWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-10-17(9-6-15(12)11-19)20(3)13(2)14-4-7-16(18)8-5-14/h4-10,13H,11,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline?
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-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,3-dimethylaniline is sourced from PubChem (CID 62979024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).