(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol

C12H18ClNO2 — CID 103924290

IUPAC(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1c(Cl)cccc1OC
InChIInChI=1S/C12H18ClNO2/c1-3-9(8-15)14-7-10-11(13)5-4-6-12(10)16-2/h4-6,9,14-15H,3,7-8H2,1-2H3/t9-/m1/s1
InChIKeyHGPDWDWZZUPJEC-SECBINFHSA-N
MW243.73 g/mol
LogP2.21
Rot. Bonds6

About (2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol

(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol (PubChem CID 103924290) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
PubChem CID103924290
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1c(Cl)cccc1OC
InChIInChI=1S/C12H18ClNO2/c1-3-9(8-15)14-7-10-11(13)5-4-6-12(10)16-2/h4-6,9,14-15H,3,7-8H2,1-2H3/t9-/m1/s1
InChIKeyHGPDWDWZZUPJEC-SECBINFHSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327
2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 17293782
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568
2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719354
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 66530031
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol (CID 103924290) is (2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1c(Cl)cccc1OC.
What is the InChIKey of (2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol?
The InChIKey is HGPDWDWZZUPJEC-SECBINFHSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-3-9(8-15)14-7-10-11(13)5-4-6-12(10)16-2/h4-6,9,14-15H,3,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol?
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 103924290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).