N-[1-(2-bromophenyl)ethyl]hexan-3-amine

C14H22BrN — CID 63477080

IUPACN-[1-(2-bromophenyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccccc1Br
InChIInChI=1S/C14H22BrN/c1-4-8-12(5-2)16-11(3)13-9-6-7-10-14(13)15/h6-7,9-12,16H,4-5,8H2,1-3H3
InChIKeyCGXJGNIINLQREB-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.68
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]hexan-3-amine

N-[1-(2-bromophenyl)ethyl]hexan-3-amine (PubChem CID 63477080) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]hexan-3-amine
PubChem CID63477080
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[1-(2-bromophenyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccccc1Br
InChIInChI=1S/C14H22BrN/c1-4-8-12(5-2)16-11(3)13-9-6-7-10-14(13)15/h6-7,9-12,16H,4-5,8H2,1-3H3
InChIKeyCGXJGNIINLQREB-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]heptan-4-amine
CID 81383471
N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile
CID 81383586
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
N-[(1R)-1-(2-bromophenyl)ethyl]pent-1-yn-3-amine
CID 104865346
N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
CID 63476565
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]butanenitrile
CID 81383503
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanenitrile
CID 81383830
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
(3R)-3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-4-methylsulfanylbutan-1-ol
CID 99849156
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]hexan-3-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]hexan-3-amine (CID 63477080) is N-[1-(2-bromophenyl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]hexan-3-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]hexan-3-amine is CCCC(CC)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]hexan-3-amine?
The InChIKey is CGXJGNIINLQREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-8-12(5-2)16-11(3)13-9-6-7-10-14(13)15/h6-7,9-12,16H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]hexan-3-amine?
N-[1-(2-bromophenyl)ethyl]hexan-3-amine has a molecular weight of 284.24 g/mol, XLogP of 4.68, 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]hexan-3-amine is sourced from PubChem (CID 63477080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).