1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine

C12H16BrN — CID 115074168

IUPAC1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine
SMILESNC1(CCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C12H16BrN/c13-11-4-2-10(3-5-11)6-9-12(14)7-1-8-12/h2-5H,1,6-9,14H2
InChIKeyJJDJWSGEDSTPKY-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.26
Rot. Bonds3

About 1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine

1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine (PubChem CID 115074168) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine
PubChem CID115074168
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine
SMILESNC1(CCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C12H16BrN/c13-11-4-2-10(3-5-11)6-9-12(14)7-1-8-12/h2-5H,1,6-9,14H2
InChIKeyJJDJWSGEDSTPKY-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine
CID 83913067
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
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1-[(4-bromophenyl)methyl]cyclooctan-1-amine
CID 80603993
1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073756
1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine
CID 67420694
2-[4-[2-(1-aminocyclopropyl)ethyl]phenyl]ethanol
CID 105457995
[4-[2-(1-aminocyclopropyl)ethyl]phenyl]methanol
CID 105445343
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-[(4-bromophenoxy)methyl]cyclobutan-1-amine
CID 84708806
1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine
CID 105457986
1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine
CID 129216190
2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
CID 103274368

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine (CID 115074168) is 1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine is NC1(CCc2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine?
The InChIKey is JJDJWSGEDSTPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-11-4-2-10(3-5-11)6-9-12(14)7-1-8-12/h2-5H,1,6-9,14H2.
What are the key properties of 1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine?
1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 115074168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).