3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine

C11H15BrN2 — CID 116937412

IUPAC3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine
SMILESNC1CC(C(N)c2cccc(Br)c2)C1
InChIInChI=1S/C11H15BrN2/c12-9-3-1-2-7(4-9)11(14)8-5-10(13)6-8/h1-4,8,10-11H,5-6,13-14H2
InChIKeyIUTACKJUICONLX-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.19
Rot. Bonds2

About 3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine

3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine (PubChem CID 116937412) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine
PubChem CID116937412
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine
SMILESNC1CC(C(N)c2cccc(Br)c2)C1
InChIInChI=1S/C11H15BrN2/c12-9-3-1-2-7(4-9)11(14)8-5-10(13)6-8/h1-4,8,10-11H,5-6,13-14H2
InChIKeyIUTACKJUICONLX-UHFFFAOYSA-N
XLogP2.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
1-(3-bromophenyl)-2-piperidin-4-ylethanamine
CID 116936511
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
amino-(3-bromophenyl)methanethiol
CID 116939544
[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
CID 116937429
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine (CID 116937412) is 3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine is NC1CC(C(N)c2cccc(Br)c2)C1.
What is the InChIKey of 3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine?
The InChIKey is IUTACKJUICONLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-9-3-1-2-7(4-9)11(14)8-5-10(13)6-8/h1-4,8,10-11H,5-6,13-14H2.
What are the key properties of 3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine?
3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine has a molecular weight of 255.16 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116937412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).