3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine

C16H20BrN3 — CID 61211079

IUPAC3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCn1ccnc1CCNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H20BrN3/c1-20-9-8-19-16(20)6-7-18-15-10-13(11-15)12-2-4-14(17)5-3-12/h2-5,8-9,13,15,18H,6-7,10-11H2,1H3
InChIKeyCFOVGHZLMRJKCE-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.26
Rot. Bonds5

About 3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 61211079) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
PubChem CID61211079
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCn1ccnc1CCNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H20BrN3/c1-20-9-8-19-16(20)6-7-18-15-10-13(11-15)12-2-4-14(17)5-3-12/h2-5,8-9,13,15,18H,6-7,10-11H2,1H3
InChIKeyCFOVGHZLMRJKCE-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 61211081
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61215283
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 81344994
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634135
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine (CID 61211079) is 3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine is Cn1ccnc1CCNC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is CFOVGHZLMRJKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-20-9-8-19-16(20)6-7-18-15-10-13(11-15)12-2-4-14(17)5-3-12/h2-5,8-9,13,15,18H,6-7,10-11H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 61211079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).