3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine

C18H27BrN2 — CID 62994419

IUPAC3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
SMILESCC(CNC1CC(c2ccc(Br)cc2)C1)CN1CCCC1
InChIInChI=1S/C18H27BrN2/c1-14(13-21-8-2-3-9-21)12-20-18-10-16(11-18)15-4-6-17(19)7-5-15/h4-7,14,16,18,20H,2-3,8-13H2,1H3
InChIKeyCFLYYJTYMISPNV-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.02
Rot. Bonds6

About 3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine

3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine (PubChem CID 62994419) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
PubChem CID62994419
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
SMILESCC(CNC1CC(c2ccc(Br)cc2)C1)CN1CCCC1
InChIInChI=1S/C18H27BrN2/c1-14(13-21-8-2-3-9-21)12-20-18-10-16(11-18)15-4-6-17(19)7-5-15/h4-7,14,16,18,20H,2-3,8-13H2,1H3
InChIKeyCFLYYJTYMISPNV-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
CID 62994243
3-(4-methylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749167
3-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide
CID 43635693
3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471742
3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 107167321
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)cyclopentan-1-amine
CID 64502363
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62992339
N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine
CID 61171937
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 106594618
3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63822564

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine (CID 62994419) is 3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine is CC(CNC1CC(c2ccc(Br)cc2)C1)CN1CCCC1.
What is the InChIKey of 3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine?
The InChIKey is CFLYYJTYMISPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-14(13-21-8-2-3-9-21)12-20-18-10-16(11-18)15-4-6-17(19)7-5-15/h4-7,14,16,18,20H,2-3,8-13H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine?
3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine has a molecular weight of 351.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 62994419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).