1-(3-bromophenyl)-N-ethyloctan-2-amine

C16H26BrN — CID 63413493

IUPAC1-(3-bromophenyl)-N-ethyloctan-2-amine
SMILESCCCCCCC(Cc1cccc(Br)c1)NCC
InChIInChI=1S/C16H26BrN/c1-3-5-6-7-11-16(18-4-2)13-14-9-8-10-15(17)12-14/h8-10,12,16,18H,3-7,11,13H2,1-2H3
InChIKeyVRRCJZWUNMWYBN-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.94
Rot. Bonds9

About 1-(3-bromophenyl)-N-ethyloctan-2-amine

1-(3-bromophenyl)-N-ethyloctan-2-amine (PubChem CID 63413493) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyloctan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyloctan-2-amine
PubChem CID63413493
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name1-(3-bromophenyl)-N-ethyloctan-2-amine
SMILESCCCCCCC(Cc1cccc(Br)c1)NCC
InChIInChI=1S/C16H26BrN/c1-3-5-6-7-11-16(18-4-2)13-14-9-8-10-15(17)12-14/h8-10,12,16,18H,3-7,11,13H2,1-2H3
InChIKeyVRRCJZWUNMWYBN-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)heptan-2-ylhydrazine
CID 105202849
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-(3-bromophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66158840
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
CID 60798298

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyloctan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyloctan-2-amine (CID 63413493) is 1-(3-bromophenyl)-N-ethyloctan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyloctan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyloctan-2-amine is CCCCCCC(Cc1cccc(Br)c1)NCC.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyloctan-2-amine?
The InChIKey is VRRCJZWUNMWYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-3-5-6-7-11-16(18-4-2)13-14-9-8-10-15(17)12-14/h8-10,12,16,18H,3-7,11,13H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyloctan-2-amine?
1-(3-bromophenyl)-N-ethyloctan-2-amine has a molecular weight of 312.30 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyloctan-2-amine is sourced from PubChem (CID 63413493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).