3,5-dichloro-2-hexoxyaniline

C12H17Cl2NO — CID 54853380

IUPAC3,5-dichloro-2-hexoxyaniline
SMILESCCCCCCOc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-2-3-4-5-6-16-12-10(14)7-9(13)8-11(12)15/h7-8H,2-6,15H2,1H3
InChIKeyQEOGXPUKDSLNJZ-UHFFFAOYSA-N
MW262.18 g/mol
LogP4.53
Rot. Bonds6

About 3,5-dichloro-2-hexoxyaniline

3,5-dichloro-2-hexoxyaniline (PubChem CID 54853380) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 3,5-dichloro-2-hexoxyaniline.

Molecular Properties

Compound Name3,5-dichloro-2-hexoxyaniline
PubChem CID54853380
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name3,5-dichloro-2-hexoxyaniline
SMILESCCCCCCOc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-2-3-4-5-6-16-12-10(14)7-9(13)8-11(12)15/h7-8H,2-6,15H2,1H3
InChIKeyQEOGXPUKDSLNJZ-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
5-chloro-2-decoxyaniline
CID 55187694
1,3,5-trichloro-2-(6-chlorohexoxy)benzene
CID 63500210
4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine
CID 103553723
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
1,2,3,4,5-pentachloro-6-octoxybenzene
CID 19820106
3,5-dichloro-2-methoxyaniline
CID 11217747

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hexoxyaniline?
The IUPAC name of 3,5-dichloro-2-hexoxyaniline (CID 54853380) is 3,5-dichloro-2-hexoxyaniline.
What is the SMILES notation for 3,5-dichloro-2-hexoxyaniline?
The canonical SMILES for 3,5-dichloro-2-hexoxyaniline is CCCCCCOc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-hexoxyaniline?
The InChIKey is QEOGXPUKDSLNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-2-3-4-5-6-16-12-10(14)7-9(13)8-11(12)15/h7-8H,2-6,15H2,1H3.
What are the key properties of 3,5-dichloro-2-hexoxyaniline?
3,5-dichloro-2-hexoxyaniline has a molecular weight of 262.18 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hexoxyaniline is sourced from PubChem (CID 54853380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).