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

C16H28BrN3O — CID 105241620

IUPAC1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
SMILESCCC(CC)(C(Cc1ccc(OC)c(Br)c1)NN)N(C)C
InChIInChI=1S/C16H28BrN3O/c1-6-16(7-2,20(3)4)15(19-18)11-12-8-9-14(21-5)13(17)10-12/h8-10,15,19H,6-7,11,18H2,1-5H3
InChIKeyXJXPKVZTUSVOMA-UHFFFAOYSA-N
MW358.32 g/mol
LogP2.95
Rot. Bonds8

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

1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine (PubChem CID 105241620) has the molecular formula C16H28BrN3O and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
PubChem CID105241620
Molecular FormulaC16H28BrN3O
Molecular Weight358.32 g/mol
Exact Mass357.14
IUPAC Name1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine
SMILESCCC(CC)(C(Cc1ccc(OC)c(Br)c1)NN)N(C)C
InChIInChI=1S/C16H28BrN3O/c1-6-16(7-2,20(3)4)15(19-18)11-12-8-9-14(21-5)13(17)10-12/h8-10,15,19H,6-7,11,18H2,1-5H3
InChIKeyXJXPKVZTUSVOMA-UHFFFAOYSA-N
XLogP2.95
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-ethyl-2-N,3-N,3-N-trimethylpentane-2,3-diamine
CID 79062520
[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine
CID 105241886
[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
CID 105290221
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955
1-(3-bromo-4-methoxyphenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79053067
3-(3-bromo-4-methoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115818094
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
3-(3-bromo-4-methoxyphenyl)-2-methylpropanethioamide
CID 83926107
1-(3,4-dimethylphenyl)-2-hydrazinyl-N,N,3-trimethylpentan-3-amine
CID 105240604
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105290340

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine (CID 105241620) is 1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine is CCC(CC)(C(Cc1ccc(OC)c(Br)c1)NN)N(C)C.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine?
The InChIKey is XJXPKVZTUSVOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrN3O/c1-6-16(7-2,20(3)4)15(19-18)11-12-8-9-14(21-5)13(17)10-12/h8-10,15,19H,6-7,11,18H2,1-5H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine?
1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine has a molecular weight of 358.32 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-3-ethyl-2-hydrazinyl-N,N-dimethylpentan-3-amine is sourced from PubChem (CID 105241620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).