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

C11H16ClNO2 — CID 115634692

IUPAC1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
SMILESCOc1cccc(Cl)c1CNCC(C)O
InChIInChI=1S/C11H16ClNO2/c1-8(14)6-13-7-9-10(12)4-3-5-11(9)15-2/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyCAQGENUPDVJITQ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.82
Rot. Bonds5

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

1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol (PubChem CID 115634692) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
PubChem CID115634692
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
SMILESCOc1cccc(Cl)c1CNCC(C)O
InChIInChI=1S/C11H16ClNO2/c1-8(14)6-13-7-9-10(12)4-3-5-11(9)15-2/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyCAQGENUPDVJITQ-UHFFFAOYSA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 113238189
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 115634734
1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
CID 115630633
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319956
(2S)-1-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 51996976
2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
CID 103292059

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol (CID 115634692) is 1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol is COc1cccc(Cl)c1CNCC(C)O.
What is the InChIKey of 1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol?
The InChIKey is CAQGENUPDVJITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-8(14)6-13-7-9-10(12)4-3-5-11(9)15-2/h3-5,8,13-14H,6-7H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol?
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 115634692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).