3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride

C11H16ClNO — CID 171218055

IUPAC3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1cccc(O)c1
InChIInChI=1S/C11H15NO.ClH/c12-11(6-8-4-5-8)9-2-1-3-10(13)7-9;/h1-3,7-8,11,13H,4-6,12H2;1H/t11-;/m0./s1
InChIKeyIPYXSRRFAGTRSM-MERQFXBCSA-N
MW213.71 g/mol
LogP2.61
Rot. Bonds3

About 3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride

3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride (PubChem CID 171218055) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
PubChem CID171218055
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1cccc(O)c1
InChIInChI=1S/C11H15NO.ClH/c12-11(6-8-4-5-8)9-2-1-3-10(13)7-9;/h1-3,7-8,11,13H,4-6,12H2;1H/t11-;/m0./s1
InChIKeyIPYXSRRFAGTRSM-MERQFXBCSA-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

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Related Compounds

[3-(1-amino-2-cyclopropylethyl)phenyl]methanol
CID 55297629
3-(1-amino-2-cyclopropylethyl)benzenethiol
CID 55297793
3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride
CID 171201432
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
3-[(1R)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171198533
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
3-[1-amino-2-(cyclopropylamino)ethyl]phenol
CID 117242576
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride?
The IUPAC name of 3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride (CID 171218055) is 3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride?
The canonical SMILES for 3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride is Cl.N[C@@H](CC1CC1)c1cccc(O)c1.
What is the InChIKey of 3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride?
The InChIKey is IPYXSRRFAGTRSM-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-11(6-8-4-5-8)9-2-1-3-10(13)7-9;/h1-3,7-8,11,13H,4-6,12H2;1H/t11-;/m0./s1.
What are the key properties of 3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride?
3-[(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 3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride is sourced from PubChem (CID 171218055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).