(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine

C12H18N2 — CID 150978200

IUPAC(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
SMILESNCc1ccc([C@@H](N)CC2CC2)cc1
InChIInChI=1S/C12H18N2/c13-8-10-3-5-11(6-4-10)12(14)7-9-1-2-9/h3-6,9,12H,1-2,7-8,13-14H2/t12-/m0/s1
InChIKeyLPNPAFJMXMTACB-LBPRGKRZSA-N
MW190.29 g/mol
LogP1.95
Rot. Bonds4

About (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine

(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine (PubChem CID 150978200) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
PubChem CID150978200
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
SMILESNCc1ccc([C@@H](N)CC2CC2)cc1
InChIInChI=1S/C12H18N2/c13-8-10-3-5-11(6-4-10)12(14)7-9-1-2-9/h3-6,9,12H,1-2,7-8,13-14H2/t12-/m0/s1
InChIKeyLPNPAFJMXMTACB-LBPRGKRZSA-N
XLogP1.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431
1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
CID 150062889
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 171236528
[4-[cyclopropyl(fluoro)methyl]phenyl]methanamine
CID 83856209
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 67981332

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine?
The IUPAC name of (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine (CID 150978200) is (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine.
What is the SMILES notation for (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine?
The canonical SMILES for (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine is NCc1ccc([C@@H](N)CC2CC2)cc1.
What is the InChIKey of (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine?
The InChIKey is LPNPAFJMXMTACB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2/c13-8-10-3-5-11(6-4-10)12(14)7-9-1-2-9/h3-6,9,12H,1-2,7-8,13-14H2/t12-/m0/s1.
What are the key properties of (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine?
(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine is sourced from PubChem (CID 150978200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).