1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine

C15H24BrNO — CID 116759577

IUPAC1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-4-15(5-2,18-6-3)14(17)11-12-8-7-9-13(16)10-12/h7-10,14H,4-6,11,17H2,1-3H3
InChIKeyAUOQYJBATFIUMD-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.91
Rot. Bonds7

About 1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine

1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine (PubChem CID 116759577) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
PubChem CID116759577
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-4-15(5-2,18-6-3)14(17)11-12-8-7-9-13(16)10-12/h7-10,14H,4-6,11,17H2,1-3H3
InChIKeyAUOQYJBATFIUMD-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726195
3-ethoxy-3-ethyl-1-phenylpentan-2-amine
CID 116759543
1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198468
1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759724
3-ethoxy-3-ethyl-1-pyridin-3-ylpentan-2-amine
CID 116759597
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759645
3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine
CID 116759601
4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine
CID 116759749
1-(3-bromophenyl)-3-ethoxybutan-2-amine
CID 64540486
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554
1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759063
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine (CID 116759577) is 1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine is CCOC(CC)(CC)C(N)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine?
The InChIKey is AUOQYJBATFIUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-15(5-2,18-6-3)14(17)11-12-8-7-9-13(16)10-12/h7-10,14H,4-6,11,17H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine?
1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine is sourced from PubChem (CID 116759577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).