N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine

C19H31NO — CID 115826614

IUPACN-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)C1(C)CCCC1
InChIInChI=1S/C19H31NO/c1-5-12-20-18(19(3)10-6-7-11-19)14-16-13-15(2)8-9-17(16)21-4/h8-9,13,18,20H,5-7,10-12,14H2,1-4H3
InChIKeyQUIGBFHWRLEJLR-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.49
Rot. Bonds7

About N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine

N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine (PubChem CID 115826614) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
PubChem CID115826614
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)C1(C)CCCC1
InChIInChI=1S/C19H31NO/c1-5-12-20-18(19(3)10-6-7-11-19)14-16-13-15(2)8-9-17(16)21-4/h8-9,13,18,20H,5-7,10-12,14H2,1-4H3
InChIKeyQUIGBFHWRLEJLR-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 116762040
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine
CID 103168378
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115845087
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 105374194
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
N-[2-(2-methoxy-5-methylphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105118116
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107004230

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine (CID 115826614) is N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)ccc1OC)C1(C)CCCC1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
The InChIKey is QUIGBFHWRLEJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-12-20-18(19(3)10-6-7-11-19)14-16-13-15(2)8-9-17(16)21-4/h8-9,13,18,20H,5-7,10-12,14H2,1-4H3.
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 115826614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).