1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine

C18H30BrNO — CID 63460276

IUPAC1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine
SMILESCCCCC(CC)COC(c1ccc(Br)cc1)C(N)CC
InChIInChI=1S/C18H30BrNO/c1-4-7-8-14(5-2)13-21-18(17(20)6-3)15-9-11-16(19)12-10-15/h9-12,14,17-18H,4-8,13,20H2,1-3H3
InChIKeyMAQMOABHYUIKSB-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.46
Rot. Bonds10

About 1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine

1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine (PubChem CID 63460276) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine
PubChem CID63460276
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine
SMILESCCCCC(CC)COC(c1ccc(Br)cc1)C(N)CC
InChIInChI=1S/C18H30BrNO/c1-4-7-8-14(5-2)13-21-18(17(20)6-3)15-9-11-16(19)12-10-15/h9-12,14,17-18H,4-8,13,20H2,1-3H3
InChIKeyMAQMOABHYUIKSB-UHFFFAOYSA-N
XLogP5.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-(2-methylpropoxy)butan-2-amine
CID 55015797
2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine
CID 63474642
1-(4-bromophenyl)-1-(2-methoxyethoxy)butan-2-amine
CID 55015747
1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 55015557
1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283082
1-[5-bromo-2-(2-ethylhexoxy)phenyl]butan-2-amine
CID 63420992
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
CID 96570976
1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine
CID 103486933
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
1-(4-bromophenyl)-1-heptoxypropan-2-amine
CID 63460089
1-bromo-4-[1-(4-bromophenyl)pentyl]benzene
CID 154634126

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine (CID 63460276) is 1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine is CCCCC(CC)COC(c1ccc(Br)cc1)C(N)CC.
What is the InChIKey of 1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine?
The InChIKey is MAQMOABHYUIKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-4-7-8-14(5-2)13-21-18(17(20)6-3)15-9-11-16(19)12-10-15/h9-12,14,17-18H,4-8,13,20H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine?
1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine has a molecular weight of 356.35 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine is sourced from PubChem (CID 63460276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).