1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine

C14H21N — CID 97034738

IUPAC1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CC(C)C2)cc1
InChIInChI=1S/C14H21N/c1-11-3-5-13(6-4-11)9-15-10-14-7-12(2)8-14/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyOJINLDNHZUBCOF-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.13
Rot. Bonds4

About 1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine

1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine (PubChem CID 97034738) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine
PubChem CID97034738
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CC(C)C2)cc1
InChIInChI=1S/C14H21N/c1-11-3-5-13(6-4-11)9-15-10-14-7-12(2)8-14/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyOJINLDNHZUBCOF-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411764
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
N-benzyl-1-(5-methylpiperidin-3-yl)methanamine
CID 130854883
3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214033
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine (CID 97034738) is 1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine is Cc1ccc(CNCC2CC(C)C2)cc1.
What is the InChIKey of 1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine?
The InChIKey is OJINLDNHZUBCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-3-5-13(6-4-11)9-15-10-14-7-12(2)8-14/h3-6,12,14-15H,7-10H2,1-2H3.
What are the key properties of 1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine?
1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine has a molecular weight of 203.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine is sourced from PubChem (CID 97034738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).