[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride

C11H16ClNO — CID 178189931

IUPAC[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride
SMILESCl.NC[C@]1(CO)C[C@H]1c1ccccc1
InChIInChI=1S/C11H15NO.ClH/c12-7-11(8-13)6-10(11)9-4-2-1-3-5-9;/h1-5,10,13H,6-8,12H2;1H/t10-,11-;/m0./s1
InChIKeyXCXWZGKZFMSPFU-ACMTZBLWSA-N
MW213.71 g/mol
LogP1.53
Rot. Bonds3

About [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride

[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride (PubChem CID 178189931) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride
PubChem CID178189931
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride
SMILESCl.NC[C@]1(CO)C[C@H]1c1ccccc1
InChIInChI=1S/C11H15NO.ClH/c12-7-11(8-13)6-10(11)9-4-2-1-3-5-9;/h1-5,10,13H,6-8,12H2;1H/t10-,11-;/m0./s1
InChIKeyXCXWZGKZFMSPFU-ACMTZBLWSA-N
XLogP1.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride?
The IUPAC name of [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride (CID 178189931) is [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride.
What is the SMILES notation for [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride?
The canonical SMILES for [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride is Cl.NC[C@]1(CO)C[C@H]1c1ccccc1.
What is the InChIKey of [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride?
The InChIKey is XCXWZGKZFMSPFU-ACMTZBLWSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-7-11(8-13)6-10(11)9-4-2-1-3-5-9;/h1-5,10,13H,6-8,12H2;1H/t10-,11-;/m0./s1.
What are the key properties of [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride?
[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride is sourced from PubChem (CID 178189931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).