N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine

C15H23NO — CID 96673699

IUPACN-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
SMILESCc1cc(CNC2CCC2)ccc1OC(C)C
InChIInChI=1S/C15H23NO/c1-11(2)17-15-8-7-13(9-12(15)3)10-16-14-5-4-6-14/h7-9,11,14,16H,4-6,10H2,1-3H3
InChIKeyXTWGHANRKCEOPH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.42
Rot. Bonds5

About N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine

N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine (PubChem CID 96673699) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
PubChem CID96673699
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
SMILESCc1cc(CNC2CCC2)ccc1OC(C)C
InChIInChI=1S/C15H23NO/c1-11(2)17-15-8-7-13(9-12(15)3)10-16-14-5-4-6-14/h7-9,11,14,16H,4-6,10H2,1-3H3
InChIKeyXTWGHANRKCEOPH-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 43276848
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 110782084
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696394
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
CID 43234267

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine (CID 96673699) is N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine is Cc1cc(CNC2CCC2)ccc1OC(C)C.
What is the InChIKey of N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine?
The InChIKey is XTWGHANRKCEOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)17-15-8-7-13(9-12(15)3)10-16-14-5-4-6-14/h7-9,11,14,16H,4-6,10H2,1-3H3.
What are the key properties of N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine?
N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine has a molecular weight of 233.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 96673699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).