2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline

C10H14N2 — CID 130671812

IUPAC2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline
SMILESC=C[C@H](N)c1c(C)cccc1N
InChIInChI=1S/C10H14N2/c1-3-8(11)10-7(2)5-4-6-9(10)12/h3-6,8H,1,11-12H2,2H3/t8-/m0/s1
InChIKeyMTCRMXOYXYFUGQ-QMMMGPOBSA-N
MW162.24 g/mol
LogP1.76
Rot. Bonds2

About 2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline

2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline (PubChem CID 130671812) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline
PubChem CID130671812
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline
SMILESC=C[C@H](N)c1c(C)cccc1N
InChIInChI=1S/C10H14N2/c1-3-8(11)10-7(2)5-4-6-9(10)12/h3-6,8H,1,11-12H2,2H3/t8-/m0/s1
InChIKeyMTCRMXOYXYFUGQ-QMMMGPOBSA-N
XLogP1.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol
CID 130042268
6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride
CID 171253567
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-methylaniline
CID 130723578
2-(1-chloroethyl)-3-methylaniline
CID 174895936
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-3-methylaniline
CID 130699502
(1S)-1-(2-iodo-3-methylphenyl)prop-2-en-1-amine
CID 130706811
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
(1R)-1-(2,6-dimethoxyphenyl)prop-2-en-1-amine
CID 55278131
2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-3-methylphenol
CID 130692924
(1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine
CID 55294117
1-(2,6-dimethylphenyl)-2-fluoroethanamine
CID 130061517
3-methylbenzene-1,2-diamine
CID 162019775

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline?
The IUPAC name of 2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline (CID 130671812) is 2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline.
What is the SMILES notation for 2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline?
The canonical SMILES for 2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline is C=C[C@H](N)c1c(C)cccc1N.
What is the InChIKey of 2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline?
The InChIKey is MTCRMXOYXYFUGQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-8(11)10-7(2)5-4-6-9(10)12/h3-6,8H,1,11-12H2,2H3/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline?
2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline has a molecular weight of 162.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline is sourced from PubChem (CID 130671812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).