3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol

C10H14ClNO2 — CID 84784431

IUPAC3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(O)CCN)ccc1Cl
InChIInChI=1S/C10H14ClNO2/c1-14-10-6-7(2-3-8(10)11)9(13)4-5-12/h2-3,6,9,13H,4-5,12H2,1H3
InChIKeyCTYWTHFGVMHOEB-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.73
Rot. Bonds4

About 3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol

3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol (PubChem CID 84784431) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
PubChem CID84784431
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(O)CCN)ccc1Cl
InChIInChI=1S/C10H14ClNO2/c1-14-10-6-7(2-3-8(10)11)9(13)4-5-12/h2-3,6,9,13H,4-5,12H2,1H3
InChIKeyCTYWTHFGVMHOEB-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

(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115818086
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
1-(4-chloro-3-methoxyphenyl)-3-phenoxypropan-1-ol
CID 79698805
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211107
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
4-chloro-1-(4-chloro-3-methoxyphenyl)butane-1,2-diol
CID 171893697
2-butan-2-ylsulfanyl-1-(4-chloro-3-methoxyphenyl)ethanol
CID 79699095

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol (CID 84784431) is 3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol is COc1cc(C(O)CCN)ccc1Cl.
What is the InChIKey of 3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol?
The InChIKey is CTYWTHFGVMHOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-14-10-6-7(2-3-8(10)11)9(13)4-5-12/h2-3,6,9,13H,4-5,12H2,1H3.
What are the key properties of 3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol?
3-amino-1-(4-chloro-3-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-1-(4-chloro-3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 84784431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).