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

C16H26BrNO — CID 116718032

IUPAC1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1ccc(Br)cc1)NCC
InChIInChI=1S/C16H26BrNO/c1-4-7-16(19-6-3)15(18-5-2)12-13-8-10-14(17)11-9-13/h8-11,15-16,18H,4-7,12H2,1-3H3
InChIKeyHPCKDOCHXHVXKR-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.17
Rot. Bonds9

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

1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine (PubChem CID 116718032) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
PubChem CID116718032
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1ccc(Br)cc1)NCC
InChIInChI=1S/C16H26BrNO/c1-4-7-16(19-6-3)15(18-5-2)12-13-8-10-14(17)11-9-13/h8-11,15-16,18H,4-7,12H2,1-3H3
InChIKeyHPCKDOCHXHVXKR-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64535614
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717956
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717971
3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
CID 116718126
3-ethoxy-N-ethyl-1-pyridin-3-ylhexan-2-amine
CID 116718024
1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718090
1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795
3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 116717963
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 116718086

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine (CID 116718032) is 1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine is CCCC(OCC)C(Cc1ccc(Br)cc1)NCC.
What is the InChIKey of 1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The InChIKey is HPCKDOCHXHVXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-4-7-16(19-6-3)15(18-5-2)12-13-8-10-14(17)11-9-13/h8-11,15-16,18H,4-7,12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine?
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine is sourced from PubChem (CID 116718032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).