N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine

C15H23N — CID 103560905

IUPACN-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCc1cccc(CNC2CC(C(C)C)C2)c1
InChIInChI=1S/C15H23N/c1-11(2)14-8-15(9-14)16-10-13-6-4-5-12(3)7-13/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyOQZVRMLIPGQVFF-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.52
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine

N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103560905) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103560905
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCc1cccc(CNC2CC(C(C)C)C2)c1
InChIInChI=1S/C15H23N/c1-11(2)14-8-15(9-14)16-10-13-6-4-5-12(3)7-13/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyOQZVRMLIPGQVFF-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine (CID 103560905) is N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine is Cc1cccc(CNC2CC(C(C)C)C2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is OQZVRMLIPGQVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)14-8-15(9-14)16-10-13-6-4-5-12(3)7-13/h4-7,11,14-16H,8-10H2,1-3H3.
What are the key properties of N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103560905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).