1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine

C16H26BrN — CID 114284863

IUPAC1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine
SMILESCCNC(Cc1ccccc1Br)C(C)CC(C)C
InChIInChI=1S/C16H26BrN/c1-5-18-16(13(4)10-12(2)3)11-14-8-6-7-9-15(14)17/h6-9,12-13,16,18H,5,10-11H2,1-4H3
InChIKeySPYZXVMWGYJMDP-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.65
Rot. Bonds7

About 1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine

1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine (PubChem CID 114284863) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine
PubChem CID114284863
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine
SMILESCCNC(Cc1ccccc1Br)C(C)CC(C)C
InChIInChI=1S/C16H26BrN/c1-5-18-16(13(4)10-12(2)3)11-14-8-6-7-9-15(14)17/h6-9,12-13,16,18H,5,10-11H2,1-4H3
InChIKeySPYZXVMWGYJMDP-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
CID 63419614
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1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
CID 63419613
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
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CID 60818877
2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine
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1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
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2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
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1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
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CID 63416386

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine (CID 114284863) is 1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine is CCNC(Cc1ccccc1Br)C(C)CC(C)C.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine?
The InChIKey is SPYZXVMWGYJMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-5-18-16(13(4)10-12(2)3)11-14-8-6-7-9-15(14)17/h6-9,12-13,16,18H,5,10-11H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine?
1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine has a molecular weight of 312.29 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine is sourced from PubChem (CID 114284863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).