3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine

C19H31NO — CID 115864749

IUPAC3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(OC)cc1)C1(C)CCCC1
InChIInChI=1S/C19H31NO/c1-4-15-20-18(19(2)13-5-6-14-19)12-9-16-7-10-17(21-3)11-8-16/h7-8,10-11,18,20H,4-6,9,12-15H2,1-3H3
InChIKeyARECRJCGJMWQTE-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.58
Rot. Bonds8

About 3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine

3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine (PubChem CID 115864749) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine
PubChem CID115864749
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(OC)cc1)C1(C)CCCC1
InChIInChI=1S/C19H31NO/c1-4-15-20-18(19(2)13-5-6-14-19)12-9-16-7-10-17(21-3)11-8-16/h7-8,10-11,18,20H,4-6,9,12-15H2,1-3H3
InChIKeyARECRJCGJMWQTE-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propyl]hydrazine
CID 106831235
3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine
CID 106830149
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
CID 65447286
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
1-(1-methylcyclopentyl)-N-propyldecan-1-amine
CID 115831669
4-ethoxy-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 116717162
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115826614
1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 80684951

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine (CID 115864749) is 3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine is CCCNC(CCc1ccc(OC)cc1)C1(C)CCCC1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine?
The InChIKey is ARECRJCGJMWQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-15-20-18(19(2)13-5-6-14-19)12-9-16-7-10-17(21-3)11-8-16/h7-8,10-11,18,20H,4-6,9,12-15H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine?
3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(1-methylcyclopentyl)-N-propylpropan-1-amine is sourced from PubChem (CID 115864749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).