2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine

C12H17N — CID 174410424

IUPAC2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine
SMILESC=C(C)c1ccc(C)cc1CCN
InChIInChI=1S/C12H17N/c1-9(2)12-5-4-10(3)8-11(12)6-7-13/h4-5,8H,1,6-7,13H2,2-3H3
InChIKeyNYBRCMRKLNWZRT-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.53
Rot. Bonds3

About 2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine

2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine (PubChem CID 174410424) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine
PubChem CID174410424
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine
SMILESC=C(C)c1ccc(C)cc1CCN
InChIInChI=1S/C12H17N/c1-9(2)12-5-4-10(3)8-11(12)6-7-13/h4-5,8H,1,6-7,13H2,2-3H3
InChIKeyNYBRCMRKLNWZRT-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-[2-(5-methyl-2-prop-1-en-2-ylphenyl)ethyl]cyclopentan-1-amine
CID 121314220
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
CID 167502985
2-(2-aminoethyl)-5-methylphenol
CID 55254754
ethane;5-methyl-2-prop-1-en-2-ylaniline
CID 142496238
2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine
CID 163774691
2-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 63325800
4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene
CID 145439569
2,4-dimethyl-1-(4-methyl-2-prop-1-en-2-ylphenyl)benzene
CID 142964913
1-bromo-4-methyl-2-prop-1-en-2-ylbenzene
CID 101458254
formaldehyde;2-(4-methylphenyl)ethanamine
CID 142897602
2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine
CID 63326191
6-(2-but-1-en-2-yl-4-methylphenyl)hexan-1-amine
CID 166814378

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine?
The IUPAC name of 2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine (CID 174410424) is 2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine is C=C(C)c1ccc(C)cc1CCN.
What is the InChIKey of 2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine?
The InChIKey is NYBRCMRKLNWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)12-5-4-10(3)8-11(12)6-7-13/h4-5,8H,1,6-7,13H2,2-3H3.
What are the key properties of 2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine?
2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine has a molecular weight of 175.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine is sourced from PubChem (CID 174410424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).