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

C11H18N2 — CID 55283672

IUPAC1-[4-[(dimethylamino)methyl]phenyl]ethanamine
SMILESCC(N)c1ccc(CN(C)C)cc1
InChIInChI=1S/C11H18N2/c1-9(12)11-6-4-10(5-7-11)8-13(2)3/h4-7,9H,8,12H2,1-3H3
InChIKeyPFXFWYKBVKMVLY-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.77
Rot. Bonds3

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

1-[4-[(dimethylamino)methyl]phenyl]ethanamine (PubChem CID 55283672) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]phenyl]ethanamine
PubChem CID55283672
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[4-[(dimethylamino)methyl]phenyl]ethanamine
SMILESCC(N)c1ccc(CN(C)C)cc1
InChIInChI=1S/C11H18N2/c1-9(12)11-6-4-10(5-7-11)8-13(2)3/h4-7,9H,8,12H2,1-3H3
InChIKeyPFXFWYKBVKMVLY-UHFFFAOYSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 159823067
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541566
1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541578
N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine
CID 83382566
4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 61415399
(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
CID 82106116
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
2-[4-[(dimethylamino)methyl]phenyl]propanal
CID 174405689
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-[4-[5-[4-(chloromethyl)phenyl]hexan-2-yl]phenyl]-N,N-dimethylmethanamine
CID 59871720
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]ethanamine?
The IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]ethanamine (CID 55283672) is 1-[4-[(dimethylamino)methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]phenyl]ethanamine?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]phenyl]ethanamine is CC(N)c1ccc(CN(C)C)cc1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]phenyl]ethanamine?
The InChIKey is PFXFWYKBVKMVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(12)11-6-4-10(5-7-11)8-13(2)3/h4-7,9H,8,12H2,1-3H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]phenyl]ethanamine?
1-[4-[(dimethylamino)methyl]phenyl]ethanamine has a molecular weight of 178.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]phenyl]ethanamine is sourced from PubChem (CID 55283672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).