1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine

C16H25NO — CID 104866403

IUPAC1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1ccc([C@@H](C)NC(C)CC2CCC2)cc1
InChIInChI=1S/C16H25NO/c1-12(11-14-5-4-6-14)17-13(2)15-7-9-16(18-3)10-8-15/h7-10,12-14,17H,4-6,11H2,1-3H3/t12?,13-/m1/s1
InChIKeyCCHZTXQNJJZTTH-ZGTCLIOFSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds6

About 1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine

1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine (PubChem CID 104866403) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
PubChem CID104866403
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1ccc([C@@H](C)NC(C)CC2CCC2)cc1
InChIInChI=1S/C16H25NO/c1-12(11-14-5-4-6-14)17-13(2)15-7-9-16(18-3)10-8-15/h7-10,12-14,17H,4-6,11H2,1-3H3/t12?,13-/m1/s1
InChIKeyCCHZTXQNJJZTTH-ZGTCLIOFSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[1-(6-methoxynaphthalen-2-yl)ethyl]propan-2-amine
CID 63989530
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
CID 113489748
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428628
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine (CID 104866403) is 1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine is COc1ccc([C@@H](C)NC(C)CC2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine?
The InChIKey is CCHZTXQNJJZTTH-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(11-14-5-4-6-14)17-13(2)15-7-9-16(18-3)10-8-15/h7-10,12-14,17H,4-6,11H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of 1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine?
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine has a molecular weight of 247.38 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-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 104866403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).