1-cyclobutyl-3-(2-methylphenyl)propan-1-amine

C14H21N — CID 105187525

IUPAC1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CCC(N)C1CCC1
InChIInChI=1S/C14H21N/c1-11-5-2-3-6-12(11)9-10-14(15)13-7-4-8-13/h2-3,5-6,13-14H,4,7-10,15H2,1H3
InChIKeyIAUJRMAYZCXKLT-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.06
Rot. Bonds4

About 1-cyclobutyl-3-(2-methylphenyl)propan-1-amine

1-cyclobutyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 105187525) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
PubChem CID105187525
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CCC(N)C1CCC1
InChIInChI=1S/C14H21N/c1-11-5-2-3-6-12(11)9-10-14(15)13-7-4-8-13/h2-3,5-6,13-14H,4,7-10,15H2,1H3
InChIKeyIAUJRMAYZCXKLT-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
CID 105187569
[1-(4-methylcyclohexyl)-3-(2-methylphenyl)propyl]hydrazine
CID 105311763
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218
[1-cyclopropyl-5-(2-methylphenyl)pentan-3-yl]hydrazine
CID 105315024
1-(2-methylphenyl)heptan-3-amine
CID 105125604
1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096114
1-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79763318
N-(2-amino-2-cyclopropylethyl)-2-(2-methylphenyl)acetamide
CID 63765173

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 1-cyclobutyl-3-(2-methylphenyl)propan-1-amine (CID 105187525) is 1-cyclobutyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-cyclobutyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-cyclobutyl-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CCC(N)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is IAUJRMAYZCXKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-5-2-3-6-12(11)9-10-14(15)13-7-4-8-13/h2-3,5-6,13-14H,4,7-10,15H2,1H3.
What are the key properties of 1-cyclobutyl-3-(2-methylphenyl)propan-1-amine?
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 105187525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).