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

C16H27NO2 — CID 103897750

IUPAC5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCCOc1ccc(CNCC(C)(C)CCCO)cc1
InChIInChI=1S/C16H27NO2/c1-4-19-15-8-6-14(7-9-15)12-17-13-16(2,3)10-5-11-18/h6-9,17-18H,4-5,10-13H2,1-3H3
InChIKeyPMERGAQIWQQSLM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.97
Rot. Bonds9

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

5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103897750) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103897750
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCCOc1ccc(CNCC(C)(C)CCCO)cc1
InChIInChI=1S/C16H27NO2/c1-4-19-15-8-6-14(7-9-15)12-17-13-16(2,3)10-5-11-18/h6-9,17-18H,4-5,10-13H2,1-3H3
InChIKeyPMERGAQIWQQSLM-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
ethane;N-[(4-ethoxyphenyl)methyl]-2,2,4,4,5-pentamethylhexan-1-amine
CID 164535785
3-[(4-ethoxyphenyl)methylamino]-2,2-dimethylpropanoic acid
CID 115136553
4,4-dimethyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-1-ol
CID 103897735
1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol
CID 111121689
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 106143749
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897720

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 103897750) is 5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is CCOc1ccc(CNCC(C)(C)CCCO)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is PMERGAQIWQQSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-19-15-8-6-14(7-9-15)12-17-13-16(2,3)10-5-11-18/h6-9,17-18H,4-5,10-13H2,1-3H3.
What are the key properties of 5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103897750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).