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

C16H27NO3 — CID 103897564

IUPAC5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1ccc(OC)c(CNCC(C)(C)CCCO)c1
InChIInChI=1S/C16H27NO3/c1-16(2,8-5-9-18)12-17-11-13-10-14(19-3)6-7-15(13)20-4/h6-7,10,17-18H,5,8-9,11-12H2,1-4H3
InChIKeyIAMZYFNPWMPLKD-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.59
Rot. Bonds9

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

5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103897564) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103897564
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1ccc(OC)c(CNCC(C)(C)CCCO)c1
InChIInChI=1S/C16H27NO3/c1-16(2,8-5-9-18)12-17-11-13-10-14(19-3)6-7-15(13)20-4/h6-7,10,17-18H,5,8-9,11-12H2,1-4H3
InChIKeyIAMZYFNPWMPLKD-UHFFFAOYSA-N
XLogP2.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 106147039
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222214
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylpentan-1-amine
CID 114148941
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119235
3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 103708140
N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204419
3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide
CID 104580454

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 103897564) is 5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is COc1ccc(OC)c(CNCC(C)(C)CCCO)c1.
What is the InChIKey of 5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is IAMZYFNPWMPLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2,8-5-9-18)12-17-11-13-10-14(19-3)6-7-15(13)20-4/h6-7,10,17-18H,5,8-9,11-12H2,1-4H3.
What are the key properties of 5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103897564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).