1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine

C16H26BrNO — CID 65322935

IUPAC1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine
SMILESCCNC(CCc1cc(OC)ccc1Br)C(C)(C)C
InChIInChI=1S/C16H26BrNO/c1-6-18-15(16(2,3)4)10-7-12-11-13(19-5)8-9-14(12)17/h8-9,11,15,18H,6-7,10H2,1-5H3
InChIKeyFXRDCHSJWUPCLO-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.41
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine

1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine (PubChem CID 65322935) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine
PubChem CID65322935
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine
SMILESCCNC(CCc1cc(OC)ccc1Br)C(C)(C)C
InChIInChI=1S/C16H26BrNO/c1-6-18-15(16(2,3)4)10-7-12-11-13(19-5)8-9-14(12)17/h8-9,11,15,18H,6-7,10H2,1-5H3
InChIKeyFXRDCHSJWUPCLO-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
1-(2-bromo-5-methoxyphenyl)-N-methylpentan-3-amine
CID 65322937
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
4-(2-bromo-5-methoxyphenyl)-2-methylbutanoic acid
CID 81008924
1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65325525
4-(2-bromo-5-methoxyphenyl)-1-methoxybutan-2-ol
CID 65326801
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 103396754
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 105139946

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine (CID 65322935) is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine is CCNC(CCc1cc(OC)ccc1Br)C(C)(C)C.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine?
The InChIKey is FXRDCHSJWUPCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-6-18-15(16(2,3)4)10-7-12-11-13(19-5)8-9-14(12)17/h8-9,11,15,18H,6-7,10H2,1-5H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine?
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine has a molecular weight of 328.29 g/mol, XLogP of 4.41, 6 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-ethyl-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 65322935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).