3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride

C10H15Cl2NO3 — CID 170874866

IUPAC3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
SMILESCOc1ccc(C(N)CCO)c(Cl)c1O.Cl
InChIInChI=1S/C10H14ClNO3.ClH/c1-15-8-3-2-6(7(12)4-5-13)9(11)10(8)14;/h2-3,7,13-14H,4-5,12H2,1H3;1H
InChIKeyDXCRULOUZWGYDN-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.86
Rot. Bonds4

About 3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride

3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride (PubChem CID 170874866) has the molecular formula C10H15Cl2NO3 and a molecular weight of 268.14 g/mol. Its IUPAC name is 3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
PubChem CID170874866
Molecular FormulaC10H15Cl2NO3
Molecular Weight268.14 g/mol
Exact Mass267.04
IUPAC Name3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
SMILESCOc1ccc(C(N)CCO)c(Cl)c1O.Cl
InChIInChI=1S/C10H14ClNO3.ClH/c1-15-8-3-2-6(7(12)4-5-13)9(11)10(8)14;/h2-3,7,13-14H,4-5,12H2,1H3;1H
InChIKeyDXCRULOUZWGYDN-UHFFFAOYSA-N
XLogP1.86
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
CID 171257518
1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 116932842
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 171221538
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propane-1-thiol
CID 116831304
3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 84697218
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171221531
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride?
The IUPAC name of 3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride (CID 170874866) is 3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride?
The canonical SMILES for 3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride is COc1ccc(C(N)CCO)c(Cl)c1O.Cl.
What is the InChIKey of 3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride?
The InChIKey is DXCRULOUZWGYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3.ClH/c1-15-8-3-2-6(7(12)4-5-13)9(11)10(8)14;/h2-3,7,13-14H,4-5,12H2,1H3;1H.
What are the key properties of 3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride?
3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride has a molecular weight of 268.14 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 170874866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).