1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine

C20H29N3 — CID 159823067

IUPAC1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine
SMILESCN(C)Cc1ccc(CC(N)c2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C20H29N3/c1-22(2)14-17-7-5-16(6-8-17)13-20(21)19-11-9-18(10-12-19)15-23(3)4/h5-12,20H,13-15,21H2,1-4H3
InChIKeyNMMHPDCCDOZMEM-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.05
Rot. Bonds7

About 1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine

1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine (PubChem CID 159823067) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine
PubChem CID159823067
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine
SMILESCN(C)Cc1ccc(CC(N)c2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C20H29N3/c1-22(2)14-17-7-5-16(6-8-17)13-20(21)19-11-9-18(10-12-19)15-23(3)4/h5-12,20H,13-15,21H2,1-4H3
InChIKeyNMMHPDCCDOZMEM-UHFFFAOYSA-N
XLogP3.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
CID 82106116
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine
CID 83382566
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine?
The IUPAC name of 1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine (CID 159823067) is 1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine.
What is the SMILES notation for 1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine?
The canonical SMILES for 1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine is CN(C)Cc1ccc(CC(N)c2ccc(CN(C)C)cc2)cc1.
What is the InChIKey of 1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine?
The InChIKey is NMMHPDCCDOZMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-22(2)14-17-7-5-16(6-8-17)13-20(21)19-11-9-18(10-12-19)15-23(3)4/h5-12,20H,13-15,21H2,1-4H3.
What are the key properties of 1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine?
1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine has a molecular weight of 311.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine is sourced from PubChem (CID 159823067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).