3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine

C17H24BrN — CID 63821467

IUPAC3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
SMILESCC1(CNC2CC(c3cccc(Br)c3)C2)CCCC1
InChIInChI=1S/C17H24BrN/c1-17(7-2-3-8-17)12-19-16-10-14(11-16)13-5-4-6-15(18)9-13/h4-6,9,14,16,19H,2-3,7-8,10-12H2,1H3
InChIKeyAZKOGZSYZUWUHE-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.86
Rot. Bonds4

About 3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine

3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine (PubChem CID 63821467) has the molecular formula C17H24BrN and a molecular weight of 322.29 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
PubChem CID63821467
Molecular FormulaC17H24BrN
Molecular Weight322.29 g/mol
Exact Mass321.11
IUPAC Name3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
SMILESCC1(CNC2CC(c3cccc(Br)c3)C2)CCCC1
InChIInChI=1S/C17H24BrN/c1-17(7-2-3-8-17)12-19-16-10-14(11-16)13-5-4-6-15(18)9-13/h4-6,9,14,16,19H,2-3,7-8,10-12H2,1H3
InChIKeyAZKOGZSYZUWUHE-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63822564
1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65117005
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
3-(3-bromophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 65246365
3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
CID 106704265
3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634794
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine (CID 63821467) is 3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine is CC1(CNC2CC(c3cccc(Br)c3)C2)CCCC1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
The InChIKey is AZKOGZSYZUWUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN/c1-17(7-2-3-8-17)12-19-16-10-14(11-16)13-5-4-6-15(18)9-13/h4-6,9,14,16,19H,2-3,7-8,10-12H2,1H3.
What are the key properties of 3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine has a molecular weight of 322.29 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 63821467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).