N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine

C14H20BrN — CID 105401701

IUPACN-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2ccc(C)c(Br)c2)CCC1
InChIInChI=1S/C14H20BrN/c1-3-14(7-4-8-14)16-10-12-6-5-11(2)13(15)9-12/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyNZKDKQUTTBAOOC-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.18
Rot. Bonds4

About N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine

N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine (PubChem CID 105401701) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine
PubChem CID105401701
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2ccc(C)c(Br)c2)CCC1
InChIInChI=1S/C14H20BrN/c1-3-14(7-4-8-14)16-10-12-6-5-11(2)13(15)9-12/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyNZKDKQUTTBAOOC-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673745
1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 115673846
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
4-[[(1-ethylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978682
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733318
1-ethyl-N-(naphthalen-2-ylmethyl)cyclobutan-1-amine
CID 113488696
3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 115673069
4-[[(1-ethylcyclobutyl)amino]methyl]phenol
CID 115978684
N-[(3-bromo-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 105401425
1-(3-bromo-4-methylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267553
[1-[(3-bromo-4-chlorophenyl)methylamino]cyclobutyl]methanol
CID 115909414
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine (CID 105401701) is N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine is CCC1(NCc2ccc(C)c(Br)c2)CCC1.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine?
The InChIKey is NZKDKQUTTBAOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-3-14(7-4-8-14)16-10-12-6-5-11(2)13(15)9-12/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine?
N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine is sourced from PubChem (CID 105401701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).