[(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

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Related Compounds

[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
CID 101480035
[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol
CID 95002734
[1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol
CID 63208056
[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol
CID 102568969
(1,2-diphenylcyclopropyl)methanamine
CID 12684736
[1-(aminomethyl)-2-(2-methylpyrazol-3-yl)cyclopropyl]methanol
CID 114554438
[(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol
CID 95002787
[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol
CID 63041822
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol
CID 167878323
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967

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).