2-(4-bromophenyl)-N-ethylundecan-1-amine

C19H32BrN — CID 79433070

IUPAC2-(4-bromophenyl)-N-ethylundecan-1-amine
SMILESCCCCCCCCCC(CNCC)c1ccc(Br)cc1
InChIInChI=1S/C19H32BrN/c1-3-5-6-7-8-9-10-11-18(16-21-4-2)17-12-14-19(20)15-13-17/h12-15,18,21H,3-11,16H2,1-2H3
InChIKeyGGHLSMCSMXULAC-UHFFFAOYSA-N
MW354.38 g/mol
LogP6.28
Rot. Bonds12

About 2-(4-bromophenyl)-N-ethylundecan-1-amine

2-(4-bromophenyl)-N-ethylundecan-1-amine (PubChem CID 79433070) has the molecular formula C19H32BrN and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethylundecan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethylundecan-1-amine
PubChem CID79433070
Molecular FormulaC19H32BrN
Molecular Weight354.38 g/mol
Exact Mass353.17
IUPAC Name2-(4-bromophenyl)-N-ethylundecan-1-amine
SMILESCCCCCCCCCC(CNCC)c1ccc(Br)cc1
InChIInChI=1S/C19H32BrN/c1-3-5-6-7-8-9-10-11-18(16-21-4-2)17-12-14-19(20)15-13-17/h12-15,18,21H,3-11,16H2,1-2H3
InChIKeyGGHLSMCSMXULAC-UHFFFAOYSA-N
XLogP6.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 56.28
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

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2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
2-(4-chlorophenyl)-N-propyloctan-1-amine
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2-(4-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617831
2-phenyl-N-propylnonan-1-amine
CID 65429485
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
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(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
N-[1-(4-bromophenyl)ethyl]nonan-2-amine
CID 63454622

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethylundecan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-N-ethylundecan-1-amine (CID 79433070) is 2-(4-bromophenyl)-N-ethylundecan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethylundecan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethylundecan-1-amine is CCCCCCCCCC(CNCC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethylundecan-1-amine?
The InChIKey is GGHLSMCSMXULAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BrN/c1-3-5-6-7-8-9-10-11-18(16-21-4-2)17-12-14-19(20)15-13-17/h12-15,18,21H,3-11,16H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-ethylundecan-1-amine?
2-(4-bromophenyl)-N-ethylundecan-1-amine has a molecular weight of 354.38 g/mol, XLogP of 6.28, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethylundecan-1-amine is sourced from PubChem (CID 79433070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).