2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol

C15H25NO3 — CID 61245963

IUPAC2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
SMILESCOc1cc(CNC(CO)CC(C)C)cc(OC)c1
InChIInChI=1S/C15H25NO3/c1-11(2)5-13(10-17)16-9-12-6-14(18-3)8-15(7-12)19-4/h6-8,11,13,16-17H,5,9-10H2,1-4H3
InChIKeyRBHQYHFBCWDGBQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds8

About 2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol

2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol (PubChem CID 61245963) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
PubChem CID61245963
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
SMILESCOc1cc(CNC(CO)CC(C)C)cc(OC)c1
InChIInChI=1S/C15H25NO3/c1-11(2)5-13(10-17)16-9-12-6-14(18-3)8-15(7-12)19-4/h6-8,11,13,16-17H,5,9-10H2,1-4H3
InChIKeyRBHQYHFBCWDGBQ-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61246719
2-[(3,5-dimethoxyphenyl)methylamino]propanoic acid
CID 54959230
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol
CID 103859647
4-methyl-2-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 61247010
4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
CID 61240678
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61247141
N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline
CID 28531809
2-[(3,5-dimethoxyphenyl)methylamino]propanamide
CID 43402365
(2S)-2-[(3-bromophenyl)methylamino]-4-methylpentan-1-ol
CID 71415314
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-4-methylpentan-1-ol
CID 61246853
N-[(3,5-dimethoxyphenyl)methyl]but-3-en-2-amine
CID 115691183

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol (CID 61245963) is 2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol is COc1cc(CNC(CO)CC(C)C)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol?
The InChIKey is RBHQYHFBCWDGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)5-13(10-17)16-9-12-6-14(18-3)8-15(7-12)19-4/h6-8,11,13,16-17H,5,9-10H2,1-4H3.
What are the key properties of 2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol?
2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 61245963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).