1-(4-bromophenyl)-N,4-diethylhexan-2-amine

C16H26BrN — CID 82920737

IUPAC1-(4-bromophenyl)-N,4-diethylhexan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1)CC(CC)CC
InChIInChI=1S/C16H26BrN/c1-4-13(5-2)11-16(18-6-3)12-14-7-9-15(17)10-8-14/h7-10,13,16,18H,4-6,11-12H2,1-3H3
InChIKeyMKZMRHIQTHJWGK-UHFFFAOYSA-N
MW312.30 g/mol
LogP4.80
Rot. Bonds8

About 1-(4-bromophenyl)-N,4-diethylhexan-2-amine

1-(4-bromophenyl)-N,4-diethylhexan-2-amine (PubChem CID 82920737) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,4-diethylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,4-diethylhexan-2-amine
PubChem CID82920737
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name1-(4-bromophenyl)-N,4-diethylhexan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1)CC(CC)CC
InChIInChI=1S/C16H26BrN/c1-4-13(5-2)11-16(18-6-3)12-14-7-9-15(17)10-8-14/h7-10,13,16,18H,4-6,11-12H2,1-3H3
InChIKeyMKZMRHIQTHJWGK-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028045
1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 64566592
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051
1-(4-bromophenyl)-N-ethylhex-5-yn-2-amine
CID 63656102
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1-(4-bromophenyl)-N-ethyl-5-phenylpentan-2-amine
CID 63412898
4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995739
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
CID 107884489

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,4-diethylhexan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N,4-diethylhexan-2-amine (CID 82920737) is 1-(4-bromophenyl)-N,4-diethylhexan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N,4-diethylhexan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N,4-diethylhexan-2-amine is CCNC(Cc1ccc(Br)cc1)CC(CC)CC.
What is the InChIKey of 1-(4-bromophenyl)-N,4-diethylhexan-2-amine?
The InChIKey is MKZMRHIQTHJWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-4-13(5-2)11-16(18-6-3)12-14-7-9-15(17)10-8-14/h7-10,13,16,18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N,4-diethylhexan-2-amine?
1-(4-bromophenyl)-N,4-diethylhexan-2-amine has a molecular weight of 312.30 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,4-diethylhexan-2-amine is sourced from PubChem (CID 82920737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).