cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine

C17H27N — CID 43103205

IUPACcyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine
SMILESCC(C)c1ccc(C(N)C2CCC2)c(C(C)C)c1
InChIInChI=1S/C17H27N/c1-11(2)14-8-9-15(16(10-14)12(3)4)17(18)13-6-5-7-13/h8-13,17H,5-7,18H2,1-4H3
InChIKeyAZDRWBQZGCWHBQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.73
Rot. Bonds4

About cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine

cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine (PubChem CID 43103205) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Namecyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine
PubChem CID43103205
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Namecyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine
SMILESCC(C)c1ccc(C(N)C2CCC2)c(C(C)C)c1
InChIInChI=1S/C17H27N/c1-11(2)14-8-9-15(16(10-14)12(3)4)17(18)13-6-5-7-13/h8-13,17H,5-7,18H2,1-4H3
InChIKeyAZDRWBQZGCWHBQ-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-[2,4-di(propan-2-yl)phenyl]methanol
CID 63426584
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine
CID 43484503
N-[cyclobutyl-[2,4-di(propan-2-yl)phenyl]methyl]ethanamine
CID 43491289
(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
CID 171231604
2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 63426963
[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol
CID 107181587
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
CID 116935834
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
CID 171162391
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine?
The IUPAC name of cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine (CID 43103205) is cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine.
What is the SMILES notation for cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine?
The canonical SMILES for cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine is CC(C)c1ccc(C(N)C2CCC2)c(C(C)C)c1.
What is the InChIKey of cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine?
The InChIKey is AZDRWBQZGCWHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-11(2)14-8-9-15(16(10-14)12(3)4)17(18)13-6-5-7-13/h8-13,17H,5-7,18H2,1-4H3.
What are the key properties of cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine?
cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine is sourced from PubChem (CID 43103205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).