3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine

C17H24BrN — CID 63822564

IUPAC3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
SMILESCC1(CNC2CC(c3ccc(Br)cc3)C2)CCCC1
InChIInChI=1S/C17H24BrN/c1-17(8-2-3-9-17)12-19-16-10-14(11-16)13-4-6-15(18)7-5-13/h4-7,14,16,19H,2-3,8-12H2,1H3
InChIKeyPOUXPCVBRCZMLX-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.86
Rot. Bonds4

About 3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine (PubChem CID 63822564) has the molecular formula C17H24BrN and a molecular weight of 322.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
PubChem CID63822564
Molecular FormulaC17H24BrN
Molecular Weight322.29 g/mol
Exact Mass321.11
IUPAC Name3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
SMILESCC1(CNC2CC(c3ccc(Br)cc3)C2)CCCC1
InChIInChI=1S/C17H24BrN/c1-17(8-2-3-9-17)12-19-16-10-14(11-16)13-4-6-15(18)7-5-13/h4-7,14,16,19H,2-3,8-12H2,1H3
InChIKeyPOUXPCVBRCZMLX-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-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63821467
3-(4-bromophenyl)-N-[(1-methoxycyclobutyl)methyl]cyclobutan-1-amine
CID 107167822
2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756149
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
3-(4-bromophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutan-1-amine
CID 104759771
N-[(1-methylcyclopentyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561937
3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine
CID 103460849
2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide
CID 43635693
1-(4-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984608
3-[[3-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
CID 43634672
1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65107309
N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine
CID 83116777

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine (CID 63822564) is 3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine is CC1(CNC2CC(c3ccc(Br)cc3)C2)CCCC1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
The InChIKey is POUXPCVBRCZMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN/c1-17(8-2-3-9-17)12-19-16-10-14(11-16)13-4-6-15(18)7-5-13/h4-7,14,16,19H,2-3,8-12H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
3-(4-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-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 63822564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).