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

C16H27NO3 — CID 104666985

IUPAC3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1ccc(CNC(CCO)C(C)(C)C)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-16(2,3)15(8-9-18)17-11-12-6-7-13(19-4)10-14(12)20-5/h6-7,10,15,17-18H,8-9,11H2,1-5H3
InChIKeyOJGWRPOLGYQFCF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.59
Rot. Bonds7

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

3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 104666985) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID104666985
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1ccc(CNC(CCO)C(C)(C)C)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-16(2,3)15(8-9-18)17-11-12-6-7-13(19-4)10-14(12)20-5/h6-7,10,15,17-18H,8-9,11H2,1-5H3
InChIKeyOJGWRPOLGYQFCF-UHFFFAOYSA-N
XLogP2.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-2-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949899
3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 113357124
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
4-fluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]phenol
CID 114176827
4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 106348987
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449137
3-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949915
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628168

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 104666985) is 3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is COc1ccc(CNC(CCO)C(C)(C)C)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is OJGWRPOLGYQFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2,3)15(8-9-18)17-11-12-6-7-13(19-4)10-14(12)20-5/h6-7,10,15,17-18H,8-9,11H2,1-5H3.
What are the key properties of 3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104666985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).