3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine

C19H33NO2 — CID 3026403

IUPAC3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine
SMILESCCC(N)(CC)CCOC(c1ccc(OC)cc1)C(C)(C)C
InChIInChI=1S/C19H33NO2/c1-7-19(20,8-2)13-14-22-17(18(3,4)5)15-9-11-16(21-6)12-10-15/h9-12,17H,7-8,13-14,20H2,1-6H3
InChIKeyWZEPMMRMCHVQGC-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.71
Rot. Bonds8

About 3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine

3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine (PubChem CID 3026403) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine
PubChem CID3026403
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine
SMILESCCC(N)(CC)CCOC(c1ccc(OC)cc1)C(C)(C)C
InChIInChI=1S/C19H33NO2/c1-7-19(20,8-2)13-14-22-17(18(3,4)5)15-9-11-16(21-6)12-10-15/h9-12,17H,7-8,13-14,20H2,1-6H3
InChIKeyWZEPMMRMCHVQGC-UHFFFAOYSA-N
XLogP4.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]ethyl]-1-methylpiperidin-1-ium
CID 3030651
1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene
CID 173309676
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-(1-chloro-2,2-dimethylbutyl)-4-methoxybenzene
CID 63428940
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
CID 117032804
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
1-(1-chloro-3,3-dimethylbutyl)-4-methoxybenzene
CID 63429185
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
[2-ethyl-2-methoxy-1-(4-methoxyphenyl)butyl]hydrazine
CID 105275411
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine?
The IUPAC name of 3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine (CID 3026403) is 3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine.
What is the SMILES notation for 3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine?
The canonical SMILES for 3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine is CCC(N)(CC)CCOC(c1ccc(OC)cc1)C(C)(C)C.
What is the InChIKey of 3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine?
The InChIKey is WZEPMMRMCHVQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-7-19(20,8-2)13-14-22-17(18(3,4)5)15-9-11-16(21-6)12-10-15/h9-12,17H,7-8,13-14,20H2,1-6H3.
What are the key properties of 3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine?
3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine has a molecular weight of 307.48 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(4-methoxyphenyl)-2,2-dimethylpropoxy]pentan-3-amine is sourced from PubChem (CID 3026403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).