1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine

C17H27NO2 — CID 114522243

IUPAC1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H27NO2/c1-4-7-16(19-5-2)17(18-3)13-8-6-9-15(12-13)20-14-10-11-14/h6,8-9,12,14,16-18H,4-5,7,10-11H2,1-3H3
InChIKeyKRGCLUGNIANSII-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds9

About 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine

1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine (PubChem CID 114522243) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine
PubChem CID114522243
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H27NO2/c1-4-7-16(19-5-2)17(18-3)13-8-6-9-15(12-13)20-14-10-11-14/h6,8-9,12,14,16-18H,4-5,7,10-11H2,1-3H3
InChIKeyKRGCLUGNIANSII-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine
CID 114522245
2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 116716598
1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 114519795
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537
[2-ethoxy-1-(3-propan-2-yloxyphenyl)pentyl]hydrazine
CID 105271449
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 114604710
1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114604701
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105051822
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
CID 107289370

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine (CID 114522243) is 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine is CCCC(OCC)C(NC)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine?
The InChIKey is KRGCLUGNIANSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-7-16(19-5-2)17(18-3)13-8-6-9-15(12-13)20-14-10-11-14/h6,8-9,12,14,16-18H,4-5,7,10-11H2,1-3H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine?
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine is sourced from PubChem (CID 114522243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).