2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine

C16H26BrN — CID 79441623

IUPAC2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine
SMILESCCCC(C)CC(CNCC)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrN/c1-4-6-13(3)11-15(12-18-5-2)14-7-9-16(17)10-8-14/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyZKEAEMDUQVOMKP-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.97
Rot. Bonds8

About 2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine

2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine (PubChem CID 79441623) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine
PubChem CID79441623
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine
SMILESCCCC(C)CC(CNCC)c1ccc(Br)cc1
InChIInChI=1S/C16H26BrN/c1-4-6-13(3)11-15(12-18-5-2)14-7-9-16(17)10-8-14/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyZKEAEMDUQVOMKP-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-ethylundecan-1-amine
CID 79433070
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543
2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine
CID 79438678
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
2-(4-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617831
2-(4-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79431850
2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79433065
N-[2-(4-bromophenyl)-2-(2-methylpentoxy)ethyl]propan-1-amine
CID 103285218
N,4-diethyl-2-(4-methylphenyl)octan-1-amine
CID 79435832
1-chloro-4-(1-chloro-4-methylheptan-2-yl)benzene
CID 79434544
2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79442011

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine (CID 79441623) is 2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine is CCCC(C)CC(CNCC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine?
The InChIKey is ZKEAEMDUQVOMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-4-6-13(3)11-15(12-18-5-2)14-7-9-16(17)10-8-14/h7-10,13,15,18H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine?
2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine has a molecular weight of 312.30 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine is sourced from PubChem (CID 79441623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).