2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol

C14H22ClNO2 — CID 113456327

IUPAC2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
SMILESCOc1cccc(Cl)c1CNC(CO)CC(C)C
InChIInChI=1S/C14H22ClNO2/c1-10(2)7-11(9-17)16-8-12-13(15)5-4-6-14(12)18-3/h4-6,10-11,16-17H,7-9H2,1-3H3
InChIKeyFZROZCRHQZTJAV-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.85
Rot. Bonds7

About 2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol

2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol (PubChem CID 113456327) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
PubChem CID113456327
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
SMILESCOc1cccc(Cl)c1CNC(CO)CC(C)C
InChIInChI=1S/C14H22ClNO2/c1-10(2)7-11(9-17)16-8-12-13(15)5-4-6-14(12)18-3/h4-6,10-11,16-17H,7-9H2,1-3H3
InChIKeyFZROZCRHQZTJAV-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-4-methylpentan-1-ol
CID 83170203
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
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
CID 104815707
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
3-[(2-chloro-6-methoxyphenyl)methylamino]butanenitrile
CID 104586922
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
1-(2-chloro-6-methoxyphenyl)-4-methylpentan-2-amine
CID 104816512

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol (CID 113456327) is 2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol is COc1cccc(Cl)c1CNC(CO)CC(C)C.
What is the InChIKey of 2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol?
The InChIKey is FZROZCRHQZTJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10(2)7-11(9-17)16-8-12-13(15)5-4-6-14(12)18-3/h4-6,10-11,16-17H,7-9H2,1-3H3.
What are the key properties of 2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol?
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 113456327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).