2-(3-bromophenyl)-4-ethylhexan-1-amine

C14H22BrN — CID 82929806

IUPAC2-(3-bromophenyl)-4-ethylhexan-1-amine
SMILESCCC(CC)CC(CN)c1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-3-11(4-2)8-13(10-16)12-6-5-7-14(15)9-12/h5-7,9,11,13H,3-4,8,10,16H2,1-2H3
InChIKeyNUOHFDWMWQGUEE-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.32
Rot. Bonds6

About 2-(3-bromophenyl)-4-ethylhexan-1-amine

2-(3-bromophenyl)-4-ethylhexan-1-amine (PubChem CID 82929806) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-ethylhexan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-ethylhexan-1-amine
PubChem CID82929806
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name2-(3-bromophenyl)-4-ethylhexan-1-amine
SMILESCCC(CC)CC(CN)c1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-3-11(4-2)8-13(10-16)12-6-5-7-14(15)9-12/h5-7,9,11,13H,3-4,8,10,16H2,1-2H3
InChIKeyNUOHFDWMWQGUEE-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82929807
(4S)-5-amino-4-(3-bromophenyl)pentan-2-one
CID 166707434
1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
CID 116945535
2-(3-bromophenyl)-5-ethoxypentan-1-amine
CID 79442547
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 79442545
1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 63406056
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine
CID 79016135
2-(3-bromophenyl)-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617877

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-ethylhexan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-4-ethylhexan-1-amine (CID 82929806) is 2-(3-bromophenyl)-4-ethylhexan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-4-ethylhexan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-4-ethylhexan-1-amine is CCC(CC)CC(CN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-ethylhexan-1-amine?
The InChIKey is NUOHFDWMWQGUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-3-11(4-2)8-13(10-16)12-6-5-7-14(15)9-12/h5-7,9,11,13H,3-4,8,10,16H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-4-ethylhexan-1-amine?
2-(3-bromophenyl)-4-ethylhexan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-ethylhexan-1-amine is sourced from PubChem (CID 82929806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).