2-methyl-1-phenylprop-1-en-1-amine

C10H13N — CID 55290836

IUPAC2-methyl-1-phenylprop-1-en-1-amine
SMILESCC(C)=C(N)c1ccccc1
InChIInChI=1S/C10H13N/c1-8(2)10(11)9-6-4-3-5-7-9/h3-7H,11H2,1-2H3
InChIKeyMTQBFGXSZORJOA-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.40
Rot. Bonds1

About 2-methyl-1-phenylprop-1-en-1-amine

2-methyl-1-phenylprop-1-en-1-amine (PubChem CID 55290836) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-methyl-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenylprop-1-en-1-amine
PubChem CID55290836
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-methyl-1-phenylprop-1-en-1-amine
SMILESCC(C)=C(N)c1ccccc1
InChIInChI=1S/C10H13N/c1-8(2)10(11)9-6-4-3-5-7-9/h3-7H,11H2,1-2H3
InChIKeyMTQBFGXSZORJOA-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylprop-1-en-1-amine?
The IUPAC name of 2-methyl-1-phenylprop-1-en-1-amine (CID 55290836) is 2-methyl-1-phenylprop-1-en-1-amine.
What is the SMILES notation for 2-methyl-1-phenylprop-1-en-1-amine?
The canonical SMILES for 2-methyl-1-phenylprop-1-en-1-amine is CC(C)=C(N)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenylprop-1-en-1-amine?
The InChIKey is MTQBFGXSZORJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8(2)10(11)9-6-4-3-5-7-9/h3-7H,11H2,1-2H3.
What are the key properties of 2-methyl-1-phenylprop-1-en-1-amine?
2-methyl-1-phenylprop-1-en-1-amine has a molecular weight of 147.22 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 55290836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).