10-(4-bromophenyl)decan-1-amine

C16H26BrN — CID 70564089

IUPAC10-(4-bromophenyl)decan-1-amine
SMILESNCCCCCCCCCCc1ccc(Br)cc1
InChIInChI=1S/C16H26BrN/c17-16-12-10-15(11-13-16)9-7-5-3-1-2-4-6-8-14-18/h10-13H,1-9,14,18H2
InChIKeyOEWQAPUPHZHFHP-UHFFFAOYSA-N
MW312.29 g/mol
LogP5.07
Rot. Bonds10

About 10-(4-bromophenyl)decan-1-amine

10-(4-bromophenyl)decan-1-amine (PubChem CID 70564089) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 10-(4-bromophenyl)decan-1-amine.

Molecular Properties

Compound Name10-(4-bromophenyl)decan-1-amine
PubChem CID70564089
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name10-(4-bromophenyl)decan-1-amine
SMILESNCCCCCCCCCCc1ccc(Br)cc1
InChIInChI=1S/C16H26BrN/c17-16-12-10-15(11-13-16)9-7-5-3-1-2-4-6-8-14-18/h10-13H,1-9,14,18H2
InChIKeyOEWQAPUPHZHFHP-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.29
LogP ≤ 55.07
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

4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
6-(4-propylphenyl)hexan-1-amine
CID 65300510
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
1-bromo-4-tetradecylbenzene
CID 71337489
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
13-phenyltridecan-1-amine
CID 19801439
1-bromo-4-[12-[12-(4-bromophenyl)dodecylsulfanyl]dodecyl]benzene
CID 141294018
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)decan-1-amine?
The IUPAC name of 10-(4-bromophenyl)decan-1-amine (CID 70564089) is 10-(4-bromophenyl)decan-1-amine.
What is the SMILES notation for 10-(4-bromophenyl)decan-1-amine?
The canonical SMILES for 10-(4-bromophenyl)decan-1-amine is NCCCCCCCCCCc1ccc(Br)cc1.
What is the InChIKey of 10-(4-bromophenyl)decan-1-amine?
The InChIKey is OEWQAPUPHZHFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c17-16-12-10-15(11-13-16)9-7-5-3-1-2-4-6-8-14-18/h10-13H,1-9,14,18H2.
What are the key properties of 10-(4-bromophenyl)decan-1-amine?
10-(4-bromophenyl)decan-1-amine has a molecular weight of 312.29 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)decan-1-amine is sourced from PubChem (CID 70564089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).