3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine

C16H23BrN2 — CID 107167321

IUPAC3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
SMILESCN1CCCC1CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2/c1-19-8-2-3-16(19)11-18-15-9-13(10-15)12-4-6-14(17)7-5-12/h4-7,13,15-16,18H,2-3,8-11H2,1H3
InChIKeyJNXRKABYFOIKAI-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.38
Rot. Bonds4

About 3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine (PubChem CID 107167321) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
PubChem CID107167321
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
SMILESCN1CCCC1CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2/c1-19-8-2-3-16(19)11-18-15-9-13(10-15)12-4-6-14(17)7-5-12/h4-7,13,15-16,18H,2-3,8-11H2,1H3
InChIKeyJNXRKABYFOIKAI-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine
CID 63897610
3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79082739
N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
CID 61211031
3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 104871157
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 66004545
3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 107167877
3-(4-bromophenyl)-N-[(1,1-dioxothiolan-2-yl)methyl]cyclobutan-1-amine
CID 81038703
3,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 64752221
3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
CID 62994419
N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine
CID 61171937
1,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 115712513

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine (CID 107167321) is 3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine is CN1CCCC1CNC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is JNXRKABYFOIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-19-8-2-3-16(19)11-18-15-9-13(10-15)12-4-6-14(17)7-5-12/h4-7,13,15-16,18H,2-3,8-11H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 323.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 107167321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).