1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine

C18H29NO — CID 103168378

IUPAC1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)CC1CCC1
InChIInChI=1S/C18H29NO/c1-4-10-19-17(12-15-6-5-7-15)13-16-11-14(2)8-9-18(16)20-3/h8-9,11,15,17,19H,4-7,10,12-13H2,1-3H3
InChIKeyUFXGHFIRWVENJT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.10
Rot. Bonds8

About 1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine

1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine (PubChem CID 103168378) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine
PubChem CID103168378
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)CC1CCC1
InChIInChI=1S/C18H29NO/c1-4-10-19-17(12-15-6-5-7-15)13-16-11-14(2)8-9-18(16)20-3/h8-9,11,15,17,19H,4-7,10,12-13H2,1-3H3
InChIKeyUFXGHFIRWVENJT-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.10
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-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 65458593
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
N-[2-(2-methoxy-5-methylphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105118116
1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
CID 62160648
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115826614
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
1-(3-ethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65401725

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine (CID 103168378) is 1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine is CCCNC(Cc1cc(C)ccc1OC)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine?
The InChIKey is UFXGHFIRWVENJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-10-19-17(12-15-6-5-7-15)13-16-11-14(2)8-9-18(16)20-3/h8-9,11,15,17,19H,4-7,10,12-13H2,1-3H3.
What are the key properties of 1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine?
1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 103168378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).