4-(butylamino)butan-1-ol;1,2-dichlorobenzene

C14H23Cl2NO — CID 166462109

IUPAC4-(butylamino)butan-1-ol;1,2-dichlorobenzene
SMILESCCCCNCCCCO.Clc1ccccc1Cl
InChIInChI=1S/C8H19NO.C6H4Cl2/c1-2-3-6-9-7-4-5-8-10;7-5-3-1-2-4-6(5)8/h9-10H,2-8H2,1H3;1-4H
InChIKeySFCVYCLWLCYESL-UHFFFAOYSA-N
MW292.25 g/mol
LogP4.14
Rot. Bonds7

About 4-(butylamino)butan-1-ol;1,2-dichlorobenzene

4-(butylamino)butan-1-ol;1,2-dichlorobenzene (PubChem CID 166462109) has the molecular formula C14H23Cl2NO and a molecular weight of 292.25 g/mol. Its IUPAC name is 4-(butylamino)butan-1-ol;1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(butylamino)butan-1-ol;1,2-dichlorobenzene
PubChem CID166462109
Molecular FormulaC14H23Cl2NO
Molecular Weight292.25 g/mol
Exact Mass291.12
IUPAC Name4-(butylamino)butan-1-ol;1,2-dichlorobenzene
SMILESCCCCNCCCCO.Clc1ccccc1Cl
InChIInChI=1S/C8H19NO.C6H4Cl2/c1-2-3-6-9-7-4-5-8-10;7-5-3-1-2-4-6(5)8/h9-10H,2-8H2,1H3;1-4H
InChIKeySFCVYCLWLCYESL-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 54.14
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

8-(undecylamino)octan-1-ol
CID 139305047
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
N-[2-(2-chlorophenyl)sulfanylethyl]butan-1-amine
CID 62583171
butan-1-ol;chlorobenzene;hydrate
CID 174932999
N-butylbutan-1-amine;propan-1-ol
CID 174657089
N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
CID 2248800
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
2-[3-(2-chlorophenyl)propylamino]ethanol
CID 70464320
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
4-[(pentylamino)methylamino]butan-1-ol
CID 138491403
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)butan-1-ol;1,2-dichlorobenzene?
The IUPAC name of 4-(butylamino)butan-1-ol;1,2-dichlorobenzene (CID 166462109) is 4-(butylamino)butan-1-ol;1,2-dichlorobenzene.
What is the SMILES notation for 4-(butylamino)butan-1-ol;1,2-dichlorobenzene?
The canonical SMILES for 4-(butylamino)butan-1-ol;1,2-dichlorobenzene is CCCCNCCCCO.Clc1ccccc1Cl.
What is the InChIKey of 4-(butylamino)butan-1-ol;1,2-dichlorobenzene?
The InChIKey is SFCVYCLWLCYESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.C6H4Cl2/c1-2-3-6-9-7-4-5-8-10;7-5-3-1-2-4-6(5)8/h9-10H,2-8H2,1H3;1-4H.
What are the key properties of 4-(butylamino)butan-1-ol;1,2-dichlorobenzene?
4-(butylamino)butan-1-ol;1,2-dichlorobenzene has a molecular weight of 292.25 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)butan-1-ol;1,2-dichlorobenzene is sourced from PubChem (CID 166462109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).