N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine

C15H22BrN — CID 65194612

IUPACN-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(Br)cc2)CCC1
InChIInChI=1S/C15H22BrN/c1-12(2)17-11-15(8-3-9-15)10-13-4-6-14(16)7-5-13/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyHIVHYIAWQRUVDB-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.16
Rot. Bonds5

About N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine

N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine (PubChem CID 65194612) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
PubChem CID65194612
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(Br)cc2)CCC1
InChIInChI=1S/C15H22BrN/c1-12(2)17-11-15(8-3-9-15)10-13-4-6-14(16)7-5-13/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyHIVHYIAWQRUVDB-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55111579
N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194218
N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55195085
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194269
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 113471460
N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65195002
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66026893
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine (CID 65194612) is N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine is CC(C)NCC1(Cc2ccc(Br)cc2)CCC1.
What is the InChIKey of N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is HIVHYIAWQRUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12(2)17-11-15(8-3-9-15)10-13-4-6-14(16)7-5-13/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine?
N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 296.25 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65194612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).