1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine

C18H30BrNO — CID 115862221

IUPAC1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(OC)ccc1Br)NCC
InChIInChI=1S/C18H30BrNO/c1-5-8-9-14(6-2)18(20-7-3)13-15-12-16(21-4)10-11-17(15)19/h10-12,14,18,20H,5-9,13H2,1-4H3
InChIKeyGEDJNEGUXQQTHH-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.19
Rot. Bonds10

About 1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine

1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine (PubChem CID 115862221) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine
PubChem CID115862221
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(OC)ccc1Br)NCC
InChIInChI=1S/C18H30BrNO/c1-5-8-9-14(6-2)18(20-7-3)13-15-12-16(21-4)10-11-17(15)19/h10-12,14,18,20H,5-9,13H2,1-4H3
InChIKeyGEDJNEGUXQQTHH-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine
CID 106023506
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 115862124
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 65326628
[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105309540
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-1-amine
CID 105102758

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine (CID 115862221) is 1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine is CCCCC(CC)C(Cc1cc(OC)ccc1Br)NCC.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine?
The InChIKey is GEDJNEGUXQQTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-5-8-9-14(6-2)18(20-7-3)13-15-12-16(21-4)10-11-17(15)19/h10-12,14,18,20H,5-9,13H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine?
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine has a molecular weight of 356.35 g/mol, XLogP of 5.19, 10 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,3-diethylheptan-2-amine is sourced from PubChem (CID 115862221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).