2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride

C11H16ClNO — CID 171220494

IUPAC2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1ccccc1O
InChIInChI=1S/C11H15NO.ClH/c12-10(7-8-5-6-8)9-3-1-2-4-11(9)13;/h1-4,8,10,13H,5-7,12H2;1H/t10-;/m0./s1
InChIKeyOHCVFCMPQSTUST-PPHPATTJSA-N
MW213.71 g/mol
LogP2.61
Rot. Bonds3

About 2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride

2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride (PubChem CID 171220494) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
PubChem CID171220494
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1ccccc1O
InChIInChI=1S/C11H15NO.ClH/c12-10(7-8-5-6-8)9-3-1-2-4-11(9)13;/h1-4,8,10,13H,5-7,12H2;1H/t10-;/m0./s1
InChIKeyOHCVFCMPQSTUST-PPHPATTJSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
CID 165346025
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
2-(1-amino-2-cyclopropylethyl)-5-iodophenol
CID 130062553
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
(1S)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171231397
2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
CID 171253881
2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol
CID 171216016
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride?
The IUPAC name of 2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride (CID 171220494) is 2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride.
What is the SMILES notation for 2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride?
The canonical SMILES for 2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride is Cl.N[C@@H](CC1CC1)c1ccccc1O.
What is the InChIKey of 2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride?
The InChIKey is OHCVFCMPQSTUST-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-10(7-8-5-6-8)9-3-1-2-4-11(9)13;/h1-4,8,10,13H,5-7,12H2;1H/t10-;/m0./s1.
What are the key properties of 2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride?
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride is sourced from PubChem (CID 171220494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).