N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine

C14H21BrClN — CID 82773338

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H21BrClN/c1-4-6-12(5-2)17-10(3)13-8-7-11(15)9-14(13)16/h7-10,12,17H,4-6H2,1-3H3
InChIKeyFGRAHDJMFRSENN-UHFFFAOYSA-N
MW318.69 g/mol
LogP5.33
Rot. Bonds6

About N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine

N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine (PubChem CID 82773338) has the molecular formula C14H21BrClN and a molecular weight of 318.69 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
PubChem CID82773338
Molecular FormulaC14H21BrClN
Molecular Weight318.69 g/mol
Exact Mass317.05
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H21BrClN/c1-4-6-12(5-2)17-10(3)13-8-7-11(15)9-14(13)16/h7-10,12,17H,4-6H2,1-3H3
InChIKeyFGRAHDJMFRSENN-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.69
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 82774195
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 82775803
N-[1-(3-bromophenyl)ethyl]hexan-3-amine
CID 63477251
N-[1-(2-bromophenyl)ethyl]hexan-3-amine
CID 63477080
3-[1-(2-chloro-4-fluorophenyl)ethylamino]pentan-1-ol
CID 113262026
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine
CID 82774393
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 82774489
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine (CID 82773338) is N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine is CCCC(CC)NC(C)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine?
The InChIKey is FGRAHDJMFRSENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN/c1-4-6-12(5-2)17-10(3)13-8-7-11(15)9-14(13)16/h7-10,12,17H,4-6H2,1-3H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine has a molecular weight of 318.69 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]hexan-3-amine is sourced from PubChem (CID 82773338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).