2-cyclopropyl-1-(4-methylphenyl)ethanamine

C12H17N — CID 22649613

IUPAC2-cyclopropyl-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CC2)cc1
InChIInChI=1S/C12H17N/c1-9-2-6-11(7-3-9)12(13)8-10-4-5-10/h2-3,6-7,10,12H,4-5,8,13H2,1H3
InChIKeyYIAJNUVBVQPDIN-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.79
Rot. Bonds3

About 2-cyclopropyl-1-(4-methylphenyl)ethanamine

2-cyclopropyl-1-(4-methylphenyl)ethanamine (PubChem CID 22649613) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-methylphenyl)ethanamine
PubChem CID22649613
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-cyclopropyl-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CC2)cc1
InChIInChI=1S/C12H17N/c1-9-2-6-11(7-3-9)12(13)8-10-4-5-10/h2-3,6-7,10,12H,4-5,8,13H2,1H3
InChIKeyYIAJNUVBVQPDIN-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
CID 150978200
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 67981332
4-(1-amino-2-cyclopropylethyl)-2-methylphenol
CID 55297167
5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol
CID 55295732

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(4-methylphenyl)ethanamine (CID 22649613) is 2-cyclopropyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)CC2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-1-(4-methylphenyl)ethanamine?
The InChIKey is YIAJNUVBVQPDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-2-6-11(7-3-9)12(13)8-10-4-5-10/h2-3,6-7,10,12H,4-5,8,13H2,1H3.
What are the key properties of 2-cyclopropyl-1-(4-methylphenyl)ethanamine?
2-cyclopropyl-1-(4-methylphenyl)ethanamine has a molecular weight of 175.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 22649613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).