1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine

C14H22BrNO — CID 65325458

IUPAC1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
SMILESCCCC(Cc1cc(OC)ccc1Br)NCC
InChIInChI=1S/C14H22BrNO/c1-4-6-12(16-5-2)9-11-10-13(17-3)7-8-14(11)15/h7-8,10,12,16H,4-6,9H2,1-3H3
InChIKeyVSDXLJLUUWGPCX-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.78
Rot. Bonds7

About 1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine

1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine (PubChem CID 65325458) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
PubChem CID65325458
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
SMILESCCCC(Cc1cc(OC)ccc1Br)NCC
InChIInChI=1S/C14H22BrNO/c1-4-6-12(16-5-2)9-11-10-13(17-3)7-8-14(11)15/h7-8,10,12,16H,4-6,9H2,1-3H3
InChIKeyVSDXLJLUUWGPCX-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65325525
N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine
CID 106023506
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65325080
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105309540
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine
CID 115862221
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
CID 115862236
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 115862124

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine (CID 65325458) is 1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine is CCCC(Cc1cc(OC)ccc1Br)NCC.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine?
The InChIKey is VSDXLJLUUWGPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-6-12(16-5-2)9-11-10-13(17-3)7-8-14(11)15/h7-8,10,12,16H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine?
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 65325458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).