1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine

C11H15BrN2 — CID 131049147

IUPAC1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine
SMILESCc1ccc(Br)cc1CN1CC(N)C1
InChIInChI=1S/C11H15BrN2/c1-8-2-3-10(12)4-9(8)5-14-6-11(13)7-14/h2-4,11H,5-7,13H2,1H3
InChIKeyBYNRITLNMKREQE-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.90
Rot. Bonds2

About 1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine

1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine (PubChem CID 131049147) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine
PubChem CID131049147
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine
SMILESCc1ccc(Br)cc1CN1CC(N)C1
InChIInChI=1S/C11H15BrN2/c1-8-2-3-10(12)4-9(8)5-14-6-11(13)7-14/h2-4,11H,5-7,13H2,1H3
InChIKeyBYNRITLNMKREQE-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-methylphenyl)methyl]-3-ethylazetidine
CID 164653820
1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
CID 65245079
1-[(5-bromo-2-methylphenyl)methyl]-3-methoxypyrrolidine
CID 172647857
1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
CID 105372590
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine
CID 115214218
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine
CID 131115447
4-bromo-2-(cyclohexylmethyl)-1-methylbenzene
CID 126628314
1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine
CID 103815288
1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol
CID 121200307

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine (CID 131049147) is 1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine is Cc1ccc(Br)cc1CN1CC(N)C1.
What is the InChIKey of 1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine?
The InChIKey is BYNRITLNMKREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-2-3-10(12)4-9(8)5-14-6-11(13)7-14/h2-4,11H,5-7,13H2,1H3.
What are the key properties of 1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine?
1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine has a molecular weight of 255.16 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 131049147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).