1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine

C14H22BrN — CID 115832741

IUPAC1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1cccc(Br)c1C
InChIInChI=1S/C14H22BrN/c1-4-6-10-14(16-5-2)12-8-7-9-13(15)11(12)3/h7-9,14,16H,4-6,10H2,1-3H3
InChIKeyHPJLSWVNMQLFHW-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.60
Rot. Bonds6

About 1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine

1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine (PubChem CID 115832741) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine
PubChem CID115832741
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1cccc(Br)c1C
InChIInChI=1S/C14H22BrN/c1-4-6-10-14(16-5-2)12-8-7-9-13(15)11(12)3/h7-9,14,16H,4-6,10H2,1-3H3
InChIKeyHPJLSWVNMQLFHW-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834241
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(3-bromo-2-methylphenyl)-N-ethylpent-3-yn-1-amine
CID 115819466
1-(2-bromo-3-methylphenyl)-N-ethylheptan-1-amine
CID 114024193
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034516
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine
CID 81474259
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
CID 115832972
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine (CID 115832741) is 1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine is CCCCC(NCC)c1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine?
The InChIKey is HPJLSWVNMQLFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-6-10-14(16-5-2)12-8-7-9-13(15)11(12)3/h7-9,14,16H,4-6,10H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine?
1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine is sourced from PubChem (CID 115832741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).