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

C16H26BrNO — CID 115817955

IUPAC1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)C(C)(C)CC
InChIInChI=1S/C16H26BrNO/c1-6-16(3,4)15(18-7-2)11-12-8-9-14(19-5)13(17)10-12/h8-10,15,18H,6-7,11H2,1-5H3
InChIKeyBHPCAOOVSTVNPE-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.41
Rot. Bonds7

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

1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine (PubChem CID 115817955) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
PubChem CID115817955
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
SMILESCCNC(Cc1ccc(OC)c(Br)c1)C(C)(C)CC
InChIInChI=1S/C16H26BrNO/c1-6-16(3,4)15(18-7-2)11-12-8-9-14(19-5)13(17)10-12/h8-10,15,18H,6-7,11H2,1-5H3
InChIKeyBHPCAOOVSTVNPE-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
3-(3-bromo-4-methoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115818094
N-ethyl-3,3-dimethyl-1-(4-methylphenyl)pentan-2-amine
CID 62678800
1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
CID 105241620
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757954
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105110896
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840247
N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 62679178
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 115817876
[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine (CID 115817955) is 1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine is CCNC(Cc1ccc(OC)c(Br)c1)C(C)(C)CC.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine?
The InChIKey is BHPCAOOVSTVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-6-16(3,4)15(18-7-2)11-12-8-9-14(19-5)13(17)10-12/h8-10,15,18H,6-7,11H2,1-5H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine?
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine is sourced from PubChem (CID 115817955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).