N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine

C15H23N — CID 64984085

IUPACN-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)C1CCC1
InChIInChI=1S/C15H23N/c1-3-11-16-15(13-8-6-9-13)14-10-5-4-7-12(14)2/h4-5,7,10,13,15-16H,3,6,8-9,11H2,1-2H3
InChIKeySCNXBYJRTMGZRW-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.84
Rot. Bonds5

About N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine

N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 64984085) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
PubChem CID64984085
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)C1CCC1
InChIInChI=1S/C15H23N/c1-3-11-16-15(13-8-6-9-13)14-10-5-4-7-12(14)2/h4-5,7,10,13,15-16H,3,6,8-9,11H2,1-2H3
InChIKeySCNXBYJRTMGZRW-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[(2-methylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105094654
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
CID 64986462

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine (CID 64984085) is N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1C)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is SCNXBYJRTMGZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-11-16-15(13-8-6-9-13)14-10-5-4-7-12(14)2/h4-5,7,10,13,15-16H,3,6,8-9,11H2,1-2H3.
What are the key properties of N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine?
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 64984085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).