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

C17H22N2 — CID 82541578

IUPAC1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
SMILESCC(N)c1cccc(-c2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C17H22N2/c1-13(18)16-5-4-6-17(11-16)15-9-7-14(8-10-15)12-19(2)3/h4-11,13H,12,18H2,1-3H3
InChIKeyXNNYXENFRGXXHY-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.43
Rot. Bonds4

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

1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine (PubChem CID 82541578) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
PubChem CID82541578
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
SMILESCC(N)c1cccc(-c2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C17H22N2/c1-13(18)16-5-4-6-17(11-16)15-9-7-14(8-10-15)12-19(2)3/h4-11,13H,12,18H2,1-3H3
InChIKeyXNNYXENFRGXXHY-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
3-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]butanoic acid
CID 82543014
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541566
1-[3-(4-ethoxyphenyl)phenyl]ethanamine
CID 54912028
(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 171391010
1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine
CID 82541897
1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine
CID 82540027
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine
CID 83382566
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine?
The IUPAC name of 1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine (CID 82541578) is 1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine?
The canonical SMILES for 1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine is CC(N)c1cccc(-c2ccc(CN(C)C)cc2)c1.
What is the InChIKey of 1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine?
The InChIKey is XNNYXENFRGXXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(18)16-5-4-6-17(11-16)15-9-7-14(8-10-15)12-19(2)3/h4-11,13H,12,18H2,1-3H3.
What are the key properties of 1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine?
1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine is sourced from PubChem (CID 82541578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).