1-(3-bromo-2-methylphenyl)heptan-4-amine

C14H22BrN — CID 83925953

IUPAC1-(3-bromo-2-methylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cccc(Br)c1C
InChIInChI=1S/C14H22BrN/c1-3-6-13(16)9-4-7-12-8-5-10-14(15)11(12)2/h5,8,10,13H,3-4,6-7,9,16H2,1-2H3
InChIKeyBXNNHBVPLSBYGU-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.21
Rot. Bonds6

About 1-(3-bromo-2-methylphenyl)heptan-4-amine

1-(3-bromo-2-methylphenyl)heptan-4-amine (PubChem CID 83925953) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)heptan-4-amine
PubChem CID83925953
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(3-bromo-2-methylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cccc(Br)c1C
InChIInChI=1S/C14H22BrN/c1-3-6-13(16)9-4-7-12-8-5-10-14(15)11(12)2/h5,8,10,13H,3-4,6-7,9,16H2,1-2H3
InChIKeyBXNNHBVPLSBYGU-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-bromo-2-methylphenyl)pentan-2-amine
CID 83926001
1-bromo-2-methyl-3-propylbenzene
CID 143344358
1-(3-bromophenyl)heptan-4-amine
CID 64504358
1-(3-bromo-4-methylphenyl)heptan-4-amine
CID 83924298
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
1-(2-methylphenyl)heptan-3-amine
CID 105125604
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
1-(3-bromo-2-methylphenyl)octan-1-amine
CID 115832299
4-(3-bromo-2-methylphenyl)butane-1,2-diol
CID 83926043
2-(4-aminoheptyl)-4-methylphenol
CID 83922824
1,2-dimethyl-3-octadecylbenzene;methanamine;hydrobromide
CID 174529891
1-(2,4,6-trimethylphenyl)heptan-4-amine
CID 64502731

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)heptan-4-amine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)heptan-4-amine (CID 83925953) is 1-(3-bromo-2-methylphenyl)heptan-4-amine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)heptan-4-amine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)heptan-4-amine is CCCC(N)CCCc1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)heptan-4-amine?
The InChIKey is BXNNHBVPLSBYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-3-6-13(16)9-4-7-12-8-5-10-14(15)11(12)2/h5,8,10,13H,3-4,6-7,9,16H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)heptan-4-amine?
1-(3-bromo-2-methylphenyl)heptan-4-amine has a molecular weight of 284.24 g/mol, XLogP of 4.21, 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)heptan-4-amine is sourced from PubChem (CID 83925953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).