1-[2-[1-(methylamino)ethyl]phenyl]ethanamine

C11H18N2 — CID 139989769

IUPAC1-[2-[1-(methylamino)ethyl]phenyl]ethanamine
SMILESCNC(C)c1ccccc1C(C)N
InChIInChI=1S/C11H18N2/c1-8(12)10-6-4-5-7-11(10)9(2)13-3/h4-9,13H,12H2,1-3H3
InChIKeyRARAEWFNJRBGPH-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.99
Rot. Bonds3

About 1-[2-[1-(methylamino)ethyl]phenyl]ethanamine

1-[2-[1-(methylamino)ethyl]phenyl]ethanamine (PubChem CID 139989769) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[2-[1-(methylamino)ethyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[1-(methylamino)ethyl]phenyl]ethanamine
PubChem CID139989769
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[2-[1-(methylamino)ethyl]phenyl]ethanamine
SMILESCNC(C)c1ccccc1C(C)N
InChIInChI=1S/C11H18N2/c1-8(12)10-6-4-5-7-11(10)9(2)13-3/h4-9,13H,12H2,1-3H3
InChIKeyRARAEWFNJRBGPH-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-(methylamino)ethyl]benzenethiol
CID 131140509
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine
CID 116948174
1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine
CID 84668909
N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine
CID 58593474
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
5-[(1R)-1-aminoethyl]naphthalen-1-ol
CID 131150444
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
2-[1-(methylamino)ethyl]-N,N-bis(prop-2-enyl)aniline
CID 43283871
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
N-methyl-1-[2-(2,4,5-trimethylphenyl)phenyl]ethanamine
CID 64985124

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(methylamino)ethyl]phenyl]ethanamine?
The IUPAC name of 1-[2-[1-(methylamino)ethyl]phenyl]ethanamine (CID 139989769) is 1-[2-[1-(methylamino)ethyl]phenyl]ethanamine.
What is the SMILES notation for 1-[2-[1-(methylamino)ethyl]phenyl]ethanamine?
The canonical SMILES for 1-[2-[1-(methylamino)ethyl]phenyl]ethanamine is CNC(C)c1ccccc1C(C)N.
What is the InChIKey of 1-[2-[1-(methylamino)ethyl]phenyl]ethanamine?
The InChIKey is RARAEWFNJRBGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(12)10-6-4-5-7-11(10)9(2)13-3/h4-9,13H,12H2,1-3H3.
What are the key properties of 1-[2-[1-(methylamino)ethyl]phenyl]ethanamine?
1-[2-[1-(methylamino)ethyl]phenyl]ethanamine has a molecular weight of 178.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(methylamino)ethyl]phenyl]ethanamine is sourced from PubChem (CID 139989769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).