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

C14H21BrN2 — CID 115214218

IUPAC3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine
SMILESCc1ccc(Br)cc1CN(C)CC1CC(N)C1
InChIInChI=1S/C14H21BrN2/c1-10-3-4-13(15)7-12(10)9-17(2)8-11-5-14(16)6-11/h3-4,7,11,14H,5-6,8-9,16H2,1-2H3
InChIKeyMFHHQNMPLZOATH-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.93
Rot. Bonds4

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

3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine (PubChem CID 115214218) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine
PubChem CID115214218
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine
SMILESCc1ccc(Br)cc1CN(C)CC1CC(N)C1
InChIInChI=1S/C14H21BrN2/c1-10-3-4-13(15)7-12(10)9-17(2)8-11-5-14(16)6-11/h3-4,7,11,14H,5-6,8-9,16H2,1-2H3
InChIKeyMFHHQNMPLZOATH-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
CID 115262115
1-(3-bromocyclobutyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanamine
CID 80691494
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544
2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210044
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine
CID 131049147
N'-[(5-bromo-2-methylphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252546
3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine
CID 112651436
3-[[(4-bromo-2-nitrophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 114382518
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
CID 115213894
4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 115213466
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine (CID 115214218) is 3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine is Cc1ccc(Br)cc1CN(C)CC1CC(N)C1.
What is the InChIKey of 3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine?
The InChIKey is MFHHQNMPLZOATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-3-4-13(15)7-12(10)9-17(2)8-11-5-14(16)6-11/h3-4,7,11,14H,5-6,8-9,16H2,1-2H3.
What are the key properties of 3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine?
3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).