2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine

C18H31NO — CID 116719339

IUPAC2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)C(CCC)OC
InChIInChI=1S/C18H31NO/c1-6-8-17(20-5)18(19-13-7-2)16-11-9-15(10-12-16)14(3)4/h9-12,14,17-19H,6-8,13H2,1-5H3
InChIKeyOLWWYUCVKWDJHT-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.67
Rot. Bonds9

About 2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine

2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine (PubChem CID 116719339) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
PubChem CID116719339
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)C(CCC)OC
InChIInChI=1S/C18H31NO/c1-6-8-17(20-5)18(19-13-7-2)16-11-9-15(10-12-16)14(3)4/h9-12,14,17-19H,6-8,13H2,1-5H3
InChIKeyOLWWYUCVKWDJHT-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719516
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719391
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719527
N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 116722720
1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
CID 116715912
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350
1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719557
1-(2,6-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719530
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine (CID 116719339) is 2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine is CCCNC(c1ccc(C(C)C)cc1)C(CCC)OC.
What is the InChIKey of 2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
The InChIKey is OLWWYUCVKWDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-8-17(20-5)18(19-13-7-2)16-11-9-15(10-12-16)14(3)4/h9-12,14,17-19H,6-8,13H2,1-5H3.
What are the key properties of 2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 116719339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).