1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine

C16H27NO — CID 115792570

IUPAC1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1ccccc1OC
InChIInChI=1S/C16H27NO/c1-5-9-13(10-6-2)16(17-3)14-11-7-8-12-15(14)18-4/h7-8,11-13,16-17H,5-6,9-10H2,1-4H3
InChIKeyFEYPUKRKTCEQLS-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds8

About 1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine

1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine (PubChem CID 115792570) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
PubChem CID115792570
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1ccccc1OC
InChIInChI=1S/C16H27NO/c1-5-9-13(10-6-2)16(17-3)14-11-7-8-12-15(14)18-4/h7-8,11-13,16-17H,5-6,9-10H2,1-4H3
InChIKeyFEYPUKRKTCEQLS-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 105056755
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
CID 105024920
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115792789
1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954416
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
N-ethyl-2-(2-methoxyphenyl)hexan-3-amine
CID 83050697

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine (CID 115792570) is 1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine is CCCC(CCC)C(NC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine?
The InChIKey is FEYPUKRKTCEQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-9-13(10-6-2)16(17-3)14-11-7-8-12-15(14)18-4/h7-8,11-13,16-17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine?
1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 115792570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).