4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride

C12H18ClNO2 — CID 171200749

IUPAC4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@H](N)CC1CC1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-15-12-7-9(14)4-5-10(12)11(13)6-8-2-3-8;/h4-5,7-8,11,14H,2-3,6,13H2,1H3;1H/t11-;/m1./s1
InChIKeyKRPPIMGXWSBZAA-RFVHGSKJSA-N
MW243.73 g/mol
LogP2.62
Rot. Bonds4

About 4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride

4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride (PubChem CID 171200749) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
PubChem CID171200749
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@H](N)CC1CC1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-15-12-7-9(14)4-5-10(12)11(13)6-8-2-3-8;/h4-5,7-8,11,14H,2-3,6,13H2,1H3;1H/t11-;/m1./s1
InChIKeyKRPPIMGXWSBZAA-RFVHGSKJSA-N
XLogP2.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
CID 171200758
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171216573
4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
CID 171220298
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
CID 171200778
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine
CID 171216572
4-[(1S)-1-amino-3-methylbut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171220305
4-[(1R)-1-amino-3-methylbut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171200767
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234340
4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol
CID 171200731
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171221548

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride (CID 171200749) is 4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride is COc1cc(O)ccc1[C@H](N)CC1CC1.Cl.
What is the InChIKey of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride?
The InChIKey is KRPPIMGXWSBZAA-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-15-12-7-9(14)4-5-10(12)11(13)6-8-2-3-8;/h4-5,7-8,11,14H,2-3,6,13H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride?
4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171200749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).