1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine

C16H26BrNO — CID 116725632

IUPAC1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
SMILESCCOC(C(Cc1ccccc1Br)NC)C(C)(C)C
InChIInChI=1S/C16H26BrNO/c1-6-19-15(16(2,3)4)14(18-5)11-12-9-7-8-10-13(12)17/h7-10,14-15,18H,6,11H2,1-5H3
InChIKeyHBGSREONVDKGDH-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.03
Rot. Bonds6

About 1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine

1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine (PubChem CID 116725632) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
PubChem CID116725632
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
SMILESCCOC(C(Cc1ccccc1Br)NC)C(C)(C)C
InChIInChI=1S/C16H26BrNO/c1-6-19-15(16(2,3)4)14(18-5)11-12-9-7-8-10-13(12)17/h7-10,14-15,18H,6,11H2,1-5H3
InChIKeyHBGSREONVDKGDH-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725530
3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine
CID 116725535
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725554
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 106868825
1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725602
[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273741
1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725685
[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 107312791
[1-(2-bromophenyl)-3-methylpentan-2-yl]hydrazine
CID 105214988
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
CID 116721266
1-(5-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725728
[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274246

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine (CID 116725632) is 1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine is CCOC(C(Cc1ccccc1Br)NC)C(C)(C)C.
What is the InChIKey of 1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
The InChIKey is HBGSREONVDKGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-6-19-15(16(2,3)4)14(18-5)11-12-9-7-8-10-13(12)17/h7-10,14-15,18H,6,11H2,1-5H3.
What are the key properties of 1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 116725632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).