3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol

C10H14ClNO2 — CID 84681414

IUPAC3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(Cl)c(C(N)CCO)c1
InChIInChI=1S/C10H14ClNO2/c1-14-7-2-3-9(11)8(6-7)10(12)4-5-13/h2-3,6,10,13H,4-5,12H2,1H3
InChIKeyNDFNFNLXZBEORW-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.73
Rot. Bonds4

About 3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol

3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol (PubChem CID 84681414) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol
PubChem CID84681414
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(Cl)c(C(N)CCO)c1
InChIInChI=1S/C10H14ClNO2/c1-14-7-2-3-9(11)8(6-7)10(12)4-5-13/h2-3,6,10,13H,4-5,12H2,1H3
InChIKeyNDFNFNLXZBEORW-UHFFFAOYSA-N
XLogP1.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55264441
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
CID 116937731
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol (CID 84681414) is 3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol is COc1ccc(Cl)c(C(N)CCO)c1.
What is the InChIKey of 3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol?
The InChIKey is NDFNFNLXZBEORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-14-7-2-3-9(11)8(6-7)10(12)4-5-13/h2-3,6,10,13H,4-5,12H2,1H3.
What are the key properties of 3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol?
3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 84681414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).