1-(2-bromophenyl)-3-ethoxyhexan-2-amine

C14H22BrNO — CID 116717551

IUPAC1-(2-bromophenyl)-3-ethoxyhexan-2-amine
SMILESCCCC(OCC)C(N)Cc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-3-7-14(17-4-2)13(16)10-11-8-5-6-9-12(11)15/h5-6,8-9,13-14H,3-4,7,10,16H2,1-2H3
InChIKeyQJCQUARCWCJSEA-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.52
Rot. Bonds7

About 1-(2-bromophenyl)-3-ethoxyhexan-2-amine

1-(2-bromophenyl)-3-ethoxyhexan-2-amine (PubChem CID 116717551) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-ethoxyhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-ethoxyhexan-2-amine
PubChem CID116717551
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(2-bromophenyl)-3-ethoxyhexan-2-amine
SMILESCCCC(OCC)C(N)Cc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-3-7-14(17-4-2)13(16)10-11-8-5-6-9-12(11)15/h5-6,8-9,13-14H,3-4,7,10,16H2,1-2H3
InChIKeyQJCQUARCWCJSEA-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine
CID 107309069
1-(3-bromo-4-fluorophenyl)-3-ethoxyhexan-2-amine
CID 116717426
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine
CID 116717547
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105283966
3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine
CID 116717506
3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 116717476
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine
CID 102857957
1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725632
2-amino-3-(2-bromophenyl)propanamide
CID 15926062

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-ethoxyhexan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-ethoxyhexan-2-amine (CID 116717551) is 1-(2-bromophenyl)-3-ethoxyhexan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-ethoxyhexan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-ethoxyhexan-2-amine is CCCC(OCC)C(N)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-ethoxyhexan-2-amine?
The InChIKey is QJCQUARCWCJSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-7-14(17-4-2)13(16)10-11-8-5-6-9-12(11)15/h5-6,8-9,13-14H,3-4,7,10,16H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-ethoxyhexan-2-amine?
1-(2-bromophenyl)-3-ethoxyhexan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-ethoxyhexan-2-amine is sourced from PubChem (CID 116717551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).