6-(3,4-dichloroanilino)hexan-1-ol

C12H17Cl2NO — CID 103801947

IUPAC6-(3,4-dichloroanilino)hexan-1-ol
SMILESOCCCCCCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c13-11-6-5-10(9-12(11)14)15-7-3-1-2-4-8-16/h5-6,9,15-16H,1-4,7-8H2
InChIKeyBKAMIZDQKDKVRJ-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.96
Rot. Bonds7

About 6-(3,4-dichloroanilino)hexan-1-ol

6-(3,4-dichloroanilino)hexan-1-ol (PubChem CID 103801947) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 6-(3,4-dichloroanilino)hexan-1-ol.

Molecular Properties

Compound Name6-(3,4-dichloroanilino)hexan-1-ol
PubChem CID103801947
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name6-(3,4-dichloroanilino)hexan-1-ol
SMILESOCCCCCCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c13-11-6-5-10(9-12(11)14)15-7-3-1-2-4-8-16/h5-6,9,15-16H,1-4,7-8H2
InChIKeyBKAMIZDQKDKVRJ-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(3-fluoropropyl)aniline
CID 81106053
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
N-[4-chloro-3-(5-hydroxypentylamino)phenyl]acetamide
CID 111770386
5-(3,5-dichloroanilino)pentan-1-ol
CID 62227515
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
5-[[2-(3,4-dichloroanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 21080579
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol
CID 112722156
5-(4-bromoanilino)pentan-1-ol
CID 62227139
3,4-dichloro-N-(3-ethylsulfonylpropyl)aniline
CID 65093988
5-(5-bromo-2-chloroanilino)pentan-1-ol
CID 62914130
10-anilinodecan-1-ol
CID 10955954

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichloroanilino)hexan-1-ol?
The IUPAC name of 6-(3,4-dichloroanilino)hexan-1-ol (CID 103801947) is 6-(3,4-dichloroanilino)hexan-1-ol.
What is the SMILES notation for 6-(3,4-dichloroanilino)hexan-1-ol?
The canonical SMILES for 6-(3,4-dichloroanilino)hexan-1-ol is OCCCCCCNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-(3,4-dichloroanilino)hexan-1-ol?
The InChIKey is BKAMIZDQKDKVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c13-11-6-5-10(9-12(11)14)15-7-3-1-2-4-8-16/h5-6,9,15-16H,1-4,7-8H2.
What are the key properties of 6-(3,4-dichloroanilino)hexan-1-ol?
6-(3,4-dichloroanilino)hexan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichloroanilino)hexan-1-ol is sourced from PubChem (CID 103801947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).