1-[1-(2-bromophenyl)ethyl]azetidin-3-amine

C11H15BrN2 — CID 65244722

IUPAC1-[1-(2-bromophenyl)ethyl]azetidin-3-amine
SMILESCC(c1ccccc1Br)N1CC(N)C1
InChIInChI=1S/C11H15BrN2/c1-8(14-6-9(13)7-14)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7,13H2,1H3
InChIKeyWPOXNBKFQJKXLE-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.15
Rot. Bonds2

About 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine

1-[1-(2-bromophenyl)ethyl]azetidin-3-amine (PubChem CID 65244722) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)ethyl]azetidin-3-amine
PubChem CID65244722
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-[1-(2-bromophenyl)ethyl]azetidin-3-amine
SMILESCC(c1ccccc1Br)N1CC(N)C1
InChIInChI=1S/C11H15BrN2/c1-8(14-6-9(13)7-14)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7,13H2,1H3
InChIKeyWPOXNBKFQJKXLE-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248
1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine
CID 65244316
1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine
CID 169409815
2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol
CID 47520556
1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine
CID 65244974
3-[1-[1-(2-bromophenyl)ethyl]piperidin-4-yl]oxypropan-1-amine
CID 79732026
1-[1-(2-bromophenyl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65064952
1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
CID 69186784
1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine
CID 114059326
[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624337
2-[1-[1-(2-hydroxyphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069827
2-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244387

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine?
The IUPAC name of 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine (CID 65244722) is 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine is CC(c1ccccc1Br)N1CC(N)C1.
What is the InChIKey of 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine?
The InChIKey is WPOXNBKFQJKXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8(14-6-9(13)7-14)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7,13H2,1H3.
What are the key properties of 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine?
1-[1-(2-bromophenyl)ethyl]azetidin-3-amine has a molecular weight of 255.16 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 65244722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).