N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine

C14H21N — CID 115671674

IUPACN-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCc1ccc(C)c(CNC2CC(C)C2)c1
InChIInChI=1S/C14H21N/c1-10-4-5-12(3)13(6-10)9-15-14-7-11(2)8-14/h4-6,11,14-15H,7-9H2,1-3H3
InChIKeyBTCDDTFUSMCKIF-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.19
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine

N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115671674) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115671674
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCc1ccc(C)c(CNC2CC(C)C2)c1
InChIInChI=1S/C14H21N/c1-10-4-5-12(3)13(6-10)9-15-14-7-11(2)8-14/h4-6,11,14-15H,7-9H2,1-3H3
InChIKeyBTCDDTFUSMCKIF-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
N-[(2,5-dimethylphenyl)methyl]thiolan-3-amine
CID 103701631
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544212
N-[[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]methyl]cyclopropanamine
CID 64736289
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106816870
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 54971762
3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine
CID 130581294
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
2-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 62358499
4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919725

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine (CID 115671674) is N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine is Cc1ccc(C)c(CNC2CC(C)C2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is BTCDDTFUSMCKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-4-5-12(3)13(6-10)9-15-14-7-11(2)8-14/h4-6,11,14-15H,7-9H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine?
N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115671674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).