1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine

C17H29NO — CID 116719527

IUPAC1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
SMILESCCCNC(c1cccc(CC)c1)C(CCC)OC
InChIInChI=1S/C17H29NO/c1-5-9-16(19-4)17(18-12-6-2)15-11-8-10-14(7-3)13-15/h8,10-11,13,16-18H,5-7,9,12H2,1-4H3
InChIKeyRDFMWZFWHGOJAF-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds9

About 1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine

1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine (PubChem CID 116719527) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
PubChem CID116719527
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
SMILESCCCNC(c1cccc(CC)c1)C(CCC)OC
InChIInChI=1S/C17H29NO/c1-5-9-16(19-4)17(18-12-6-2)15-11-8-10-14(7-3)13-15/h8,10-11,13,16-18H,5-7,9,12H2,1-4H3
InChIKeyRDFMWZFWHGOJAF-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719516
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719391
1-(2,6-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719530
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719557
1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine
CID 105018498
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
1-(1-benzofuran-2-yl)-2-methoxy-N-propylpentan-1-amine
CID 114731151
1-(3-ethylphenyl)-2-methoxybutan-1-ol
CID 116710803
N-[(3-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765233

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine (CID 116719527) is 1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine is CCCNC(c1cccc(CC)c1)C(CCC)OC.
What is the InChIKey of 1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine?
The InChIKey is RDFMWZFWHGOJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-9-16(19-4)17(18-12-6-2)15-11-8-10-14(7-3)13-15/h8,10-11,13,16-18H,5-7,9,12H2,1-4H3.
What are the key properties of 1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine?
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 116719527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).