N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine

C17H27N — CID 65194269

IUPACN-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCc1ccc(CC2(CNC(C)C)CCC2)cc1C
InChIInChI=1S/C17H27N/c1-13(2)18-12-17(8-5-9-17)11-16-7-6-14(3)15(4)10-16/h6-7,10,13,18H,5,8-9,11-12H2,1-4H3
InChIKeyOCHGLIMBKHRCNR-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.01
Rot. Bonds5

About N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine

N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine (PubChem CID 65194269) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
PubChem CID65194269
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCc1ccc(CC2(CNC(C)C)CCC2)cc1C
InChIInChI=1S/C17H27N/c1-13(2)18-12-17(8-5-9-17)11-16-7-6-14(3)15(4)10-16/h6-7,10,13,18H,5,8-9,11-12H2,1-4H3
InChIKeyOCHGLIMBKHRCNR-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65195002
N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194218
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,2-dimethylbenzene
CID 66048678
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62726185
N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
CID 63511609
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522350
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 105374964
N-[[1-[(2-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025115

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine (CID 65194269) is N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine is Cc1ccc(CC2(CNC(C)C)CCC2)cc1C.
What is the InChIKey of N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is OCHGLIMBKHRCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)18-12-17(8-5-9-17)11-16-7-6-14(3)15(4)10-16/h6-7,10,13,18H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine?
N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65194269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).