1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine

C16H25BrClNO — CID 116718017

IUPAC1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1ccc(Br)cc1Cl)NCC
InChIInChI=1S/C16H25BrClNO/c1-4-7-16(20-6-3)15(19-5-2)10-12-8-9-13(17)11-14(12)18/h8-9,11,15-16,19H,4-7,10H2,1-3H3
InChIKeyXBCAGRLGHGEEHO-UHFFFAOYSA-N
MW362.74 g/mol
LogP4.83
Rot. Bonds9

About 1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine

1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine (PubChem CID 116718017) has the molecular formula C16H25BrClNO and a molecular weight of 362.74 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
PubChem CID116718017
Molecular FormulaC16H25BrClNO
Molecular Weight362.74 g/mol
Exact Mass361.08
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1ccc(Br)cc1Cl)NCC
InChIInChI=1S/C16H25BrClNO/c1-4-7-16(20-6-3)15(19-5-2)10-12-8-9-13(17)11-14(12)18/h8-9,11,15-16,19H,4-7,10H2,1-3H3
InChIKeyXBCAGRLGHGEEHO-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717956
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717971
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717974
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718090
[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine
CID 105335234
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725530
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine (CID 116718017) is 1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine is CCCC(OCC)C(Cc1ccc(Br)cc1Cl)NCC.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The InChIKey is XBCAGRLGHGEEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrClNO/c1-4-7-16(20-6-3)15(19-5-2)10-12-8-9-13(17)11-14(12)18/h8-9,11,15-16,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine has a molecular weight of 362.74 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine is sourced from PubChem (CID 116718017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).