N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine

C19H31NO — CID 63473597

IUPACN-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC1CCCC1)c1ccc(CCC)cc1
InChIInChI=1S/C19H31NO/c1-3-7-16-10-12-17(13-11-16)19(20-14-4-2)15-21-18-8-5-6-9-18/h10-13,18-20H,3-9,14-15H2,1-2H3
InChIKeyXNSMCHDQNLZPPB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.64
Rot. Bonds9

About N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine

N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine (PubChem CID 63473597) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
PubChem CID63473597
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC1CCCC1)c1ccc(CCC)cc1
InChIInChI=1S/C19H31NO/c1-3-7-16-10-12-17(13-11-16)19(20-14-4-2)15-21-18-8-5-6-9-18/h10-13,18-20H,3-9,14-15H2,1-2H3
InChIKeyXNSMCHDQNLZPPB-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyloxy-N-ethyl-1-(4-propylphenyl)ethanamine
CID 62116839
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
2-cyclobutyloxy-1-(4-propylphenyl)ethanamine
CID 62139683
N-methyl-2-(oxetan-3-yloxy)-1-(4-propylphenyl)ethanamine
CID 102605871
N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63468845
2-cyclobutyloxy-1-(4-ethylphenyl)-N-methylethanamine
CID 62139676
N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63475077
N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 63475749
N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 55040870
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
CID 64728979
N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103162968

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine (CID 63473597) is N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine is CCCNC(COC1CCCC1)c1ccc(CCC)cc1.
What is the InChIKey of N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine?
The InChIKey is XNSMCHDQNLZPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-7-16-10-12-17(13-11-16)19(20-14-4-2)15-21-18-8-5-6-9-18/h10-13,18-20H,3-9,14-15H2,1-2H3.
What are the key properties of N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine?
N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63473597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).