1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine

C17H25NO — CID 115708071

IUPAC1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(C(NC(C)C2CCC2)C2CC2)cc1
InChIInChI=1S/C17H25NO/c1-12(13-4-3-5-13)18-17(14-6-7-14)15-8-10-16(19-2)11-9-15/h8-14,17-18H,3-7H2,1-2H3
InChIKeyMURVRDPOZAXCIH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.92
Rot. Bonds6

About 1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine

1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 115708071) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
PubChem CID115708071
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(C(NC(C)C2CCC2)C2CC2)cc1
InChIInChI=1S/C17H25NO/c1-12(13-4-3-5-13)18-17(14-6-7-14)15-8-10-16(19-2)11-9-15/h8-14,17-18H,3-7H2,1-2H3
InChIKeyMURVRDPOZAXCIH-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 81384662
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 61468819
N-cyclopropyl-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 115575469
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine (CID 115708071) is 1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine is COc1ccc(C(NC(C)C2CCC2)C2CC2)cc1.
What is the InChIKey of 1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is MURVRDPOZAXCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(13-4-3-5-13)18-17(14-6-7-14)15-8-10-16(19-2)11-9-15/h8-14,17-18H,3-7H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine?
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 115708071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).