1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine

C14H21NO — CID 65446100

IUPAC1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCC(N)C2CCC2)cc1
InChIInChI=1S/C14H21NO/c1-16-13-8-5-11(6-9-13)7-10-14(15)12-3-2-4-12/h5-6,8-9,12,14H,2-4,7,10,15H2,1H3
InChIKeyHAEYULBGQFICDT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds5

About 1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine

1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 65446100) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
PubChem CID65446100
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCC(N)C2CCC2)cc1
InChIInChI=1S/C14H21NO/c1-16-13-8-5-11(6-9-13)7-10-14(15)12-3-2-4-12/h5-6,8-9,12,14H,2-4,7,10,15H2,1H3
InChIKeyHAEYULBGQFICDT-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730
(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
CID 105187569
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine
CID 113390105
1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
CID 112501445
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine
CID 65447240
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
CID 55202631
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 115864775

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine (CID 65446100) is 1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(CCC(N)C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is HAEYULBGQFICDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-16-13-8-5-11(6-9-13)7-10-14(15)12-3-2-4-12/h5-6,8-9,12,14H,2-4,7,10,15H2,1H3.
What are the key properties of 1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine?
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 65446100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).