2-methyl-N-(1-phenylethyl)prop-2-en-1-amine

C12H17N — CID 60684137

IUPAC2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
SMILESC=C(C)CNC(C)c1ccccc1
InChIInChI=1S/C12H17N/c1-10(2)9-13-11(3)12-7-5-4-6-8-12/h4-8,11,13H,1,9H2,2-3H3
InChIKeyRFCBRLQSZIUFCG-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.91
Rot. Bonds4

About 2-methyl-N-(1-phenylethyl)prop-2-en-1-amine

2-methyl-N-(1-phenylethyl)prop-2-en-1-amine (PubChem CID 60684137) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
PubChem CID60684137
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
SMILESC=C(C)CNC(C)c1ccccc1
InChIInChI=1S/C12H17N/c1-10(2)9-13-11(3)12-7-5-4-6-8-12/h4-8,11,13H,1,9H2,2-3H3
InChIKeyRFCBRLQSZIUFCG-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81352556
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
CID 114449211
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
CID 104579893
(4R,5R)-2,7-dimethyl-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine
CID 101057436
N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine
CID 115588694
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylethyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(1-phenylethyl)prop-2-en-1-amine (CID 60684137) is 2-methyl-N-(1-phenylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(1-phenylethyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(1-phenylethyl)prop-2-en-1-amine is C=C(C)CNC(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-phenylethyl)prop-2-en-1-amine?
The InChIKey is RFCBRLQSZIUFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10(2)9-13-11(3)12-7-5-4-6-8-12/h4-8,11,13H,1,9H2,2-3H3.
What are the key properties of 2-methyl-N-(1-phenylethyl)prop-2-en-1-amine?
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylethyl)prop-2-en-1-amine is sourced from PubChem (CID 60684137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).