[3-(1-cyclopropylethyl)phenyl]methanamine

C12H17N — CID 115014572

IUPAC[3-(1-cyclopropylethyl)phenyl]methanamine
SMILESCC(c1cccc(CN)c1)C1CC1
InChIInChI=1S/C12H17N/c1-9(11-5-6-11)12-4-2-3-10(7-12)8-13/h2-4,7,9,11H,5-6,8,13H2,1H3
InChIKeyLPCRAFLASZVKQZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.66
Rot. Bonds3

About [3-(1-cyclopropylethyl)phenyl]methanamine

[3-(1-cyclopropylethyl)phenyl]methanamine (PubChem CID 115014572) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is [3-(1-cyclopropylethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-cyclopropylethyl)phenyl]methanamine
PubChem CID115014572
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name[3-(1-cyclopropylethyl)phenyl]methanamine
SMILESCC(c1cccc(CN)c1)C1CC1
InChIInChI=1S/C12H17N/c1-9(11-5-6-11)12-4-2-3-10(7-12)8-13/h2-4,7,9,11H,5-6,8,13H2,1H3
InChIKeyLPCRAFLASZVKQZ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(chloromethyl)-3-[(1S)-1-cyclopropylethyl]benzene
CID 124562311
1,3-bis(1-cyclopropylethyl)benzene
CID 91412493
(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
[4-(1-cycloheptylethyl)phenyl]methanamine
CID 115038542
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115018814
[3-(aminomethyl)phenyl]-(oxan-4-yl)methanamine
CID 116937010
3-(1-cyclobutylethyl)aniline
CID 115014570
1-[3-(aminomethyl)phenyl]ethanesulfonamide
CID 91356292
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine
CID 83856265

Frequently Asked Questions

What is the IUPAC name of [3-(1-cyclopropylethyl)phenyl]methanamine?
The IUPAC name of [3-(1-cyclopropylethyl)phenyl]methanamine (CID 115014572) is [3-(1-cyclopropylethyl)phenyl]methanamine.
What is the SMILES notation for [3-(1-cyclopropylethyl)phenyl]methanamine?
The canonical SMILES for [3-(1-cyclopropylethyl)phenyl]methanamine is CC(c1cccc(CN)c1)C1CC1.
What is the InChIKey of [3-(1-cyclopropylethyl)phenyl]methanamine?
The InChIKey is LPCRAFLASZVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(11-5-6-11)12-4-2-3-10(7-12)8-13/h2-4,7,9,11H,5-6,8,13H2,1H3.
What are the key properties of [3-(1-cyclopropylethyl)phenyl]methanamine?
[3-(1-cyclopropylethyl)phenyl]methanamine has a molecular weight of 175.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-cyclopropylethyl)phenyl]methanamine is sourced from PubChem (CID 115014572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).