N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine

C14H20BrN — CID 104655434

IUPACN-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)c1ccccc1Br
InChIInChI=1S/C14H20BrN/c1-4-5-8-11(2)16-12(3)13-9-6-7-10-14(13)15/h4,6-7,9-12,16H,1,5,8H2,2-3H3
InChIKeyPRQLOZJHVRMCKZ-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine

N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine (PubChem CID 104655434) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine
PubChem CID104655434
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC NameN-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)c1ccccc1Br
InChIInChI=1S/C14H20BrN/c1-4-5-8-11(2)16-12(3)13-9-6-7-10-14(13)15/h4,6-7,9-12,16H,1,5,8H2,2-3H3
InChIKeyPRQLOZJHVRMCKZ-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
N-[1-(2-bromophenyl)ethyl]-4-methylsulfinylbutan-2-amine
CID 115893189
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-4-amine
CID 81383471
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303
N-[1-(2-bromophenyl)ethyl]hexan-3-amine
CID 63477080
(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
CID 97358759
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanoic acid
CID 81383676
N-[1-(2,4-dichlorophenyl)ethyl]hex-5-en-2-amine
CID 104655327
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 81378024
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
CID 104655811
(3R)-3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-4-methylsulfanylbutan-1-ol
CID 99849156

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine (CID 104655434) is N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine is C=CCCC(C)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine?
The InChIKey is PRQLOZJHVRMCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-4-5-8-11(2)16-12(3)13-9-6-7-10-14(13)15/h4,6-7,9-12,16H,1,5,8H2,2-3H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine?
N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine has a molecular weight of 282.23 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine is sourced from PubChem (CID 104655434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).