1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine

C16H26BrNO — CID 116759063

IUPAC1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)C(C)(CC)OCC
InChIInChI=1S/C16H26BrNO/c1-5-16(4,19-7-3)15(18-6-2)12-13-9-8-10-14(17)11-13/h8-11,15,18H,5-7,12H2,1-4H3
InChIKeyTYFVODRBTYVORO-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.17
Rot. Bonds8

About 1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine

1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine (PubChem CID 116759063) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
PubChem CID116759063
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)C(C)(CC)OCC
InChIInChI=1S/C16H26BrNO/c1-5-16(4,19-7-3)15(18-6-2)12-13-9-8-10-14(17)11-13/h8-11,15,18H,5-7,12H2,1-4H3
InChIKeyTYFVODRBTYVORO-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
CID 116759095
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759011
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
4-[3-ethoxy-2-(ethylamino)-3-methylpentyl]pyridin-2-amine
CID 116759232
[3-ethoxy-3-methyl-1-(3-methylphenyl)pentan-2-yl]hydrazine
CID 105274721
1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726195
1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759577
1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758899
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757954
N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940760
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine (CID 116759063) is 1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine is CCNC(Cc1cccc(Br)c1)C(C)(CC)OCC.
What is the InChIKey of 1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine?
The InChIKey is TYFVODRBTYVORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-16(4,19-7-3)15(18-6-2)12-13-9-8-10-14(17)11-13/h8-11,15,18H,5-7,12H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine?
1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine is sourced from PubChem (CID 116759063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).