1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine

C17H21ClN2 — CID 82541598

IUPAC1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
SMILESCC(N)c1ccc(Cl)c(-c2ccccc2CN(C)C)c1
InChIInChI=1S/C17H21ClN2/c1-12(19)13-8-9-17(18)16(10-13)15-7-5-4-6-14(15)11-20(2)3/h4-10,12H,11,19H2,1-3H3
InChIKeyUZTYRJFMYGRWKV-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.09
Rot. Bonds4

About 1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine

1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine (PubChem CID 82541598) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
PubChem CID82541598
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
SMILESCC(N)c1ccc(Cl)c(-c2ccccc2CN(C)C)c1
InChIInChI=1S/C17H21ClN2/c1-12(19)13-8-9-17(18)16(10-13)15-7-5-4-6-14(15)11-20(2)3/h4-10,12H,11,19H2,1-3H3
InChIKeyUZTYRJFMYGRWKV-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine
CID 82541998
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541566
(NE)-N-[1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethylidene]hydroxylamine
CID 110447896
3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline
CID 82541933
4-[(1S)-1-aminoethyl]-2-bromo-N-[(2-chlorophenyl)methyl]-N-methylaniline
CID 63532532
2-[5-(4-aminobutan-2-yl)-2-chlorophenyl]-N,N-dimethylaniline
CID 110447549
3-[4-chloro-3-(2-chlorophenyl)phenyl]butan-1-amine
CID 82542679
4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline
CID 63368307
1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
CID 82541962
3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
CID 115046198
N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride
CID 139942773
1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine
CID 82541614

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine?
The IUPAC name of 1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine (CID 82541598) is 1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine?
The canonical SMILES for 1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine is CC(N)c1ccc(Cl)c(-c2ccccc2CN(C)C)c1.
What is the InChIKey of 1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine?
The InChIKey is UZTYRJFMYGRWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12(19)13-8-9-17(18)16(10-13)15-7-5-4-6-14(15)11-20(2)3/h4-10,12H,11,19H2,1-3H3.
What are the key properties of 1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine?
1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine has a molecular weight of 288.82 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine is sourced from PubChem (CID 82541598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).