1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine

C18H23ClN2 — CID 110447799

IUPAC1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Cl)c(-c2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C18H23ClN2/c1-13(20-2)16-9-10-18(19)17(11-16)15-7-5-14(6-8-15)12-21(3)4/h5-11,13,20H,12H2,1-4H3
InChIKeyGLKPKTFYOCPWGD-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.35
Rot. Bonds5

About 1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine

1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine (PubChem CID 110447799) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine
PubChem CID110447799
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Cl)c(-c2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C18H23ClN2/c1-13(20-2)16-9-10-18(19)17(11-16)15-7-5-14(6-8-15)12-21(3)4/h5-11,13,20H,12H2,1-4H3
InChIKeyGLKPKTFYOCPWGD-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541566
1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine
CID 82540020
1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine
CID 115504108
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-4-fluorophenyl]-N-methylethanamine
CID 110447834
1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
CID 63424700
2-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 63532231
1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine
CID 82541614
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
CID 82540185
2-[4-[(dimethylamino)methyl]phenyl]propanal
CID 174405689
(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine (CID 110447799) is 1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine is CNC(C)c1ccc(Cl)c(-c2ccc(CN(C)C)cc2)c1.
What is the InChIKey of 1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine?
The InChIKey is GLKPKTFYOCPWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-13(20-2)16-9-10-18(19)17(11-16)15-7-5-14(6-8-15)12-21(3)4/h5-11,13,20H,12H2,1-4H3.
What are the key properties of 1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine?
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine has a molecular weight of 302.85 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 110447799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).