1-(3-chloroanilino)butan-1-ol

C10H14ClNO — CID 143119742

IUPAC1-(3-chloroanilino)butan-1-ol
SMILESCCCC(O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-2-4-10(13)12-9-6-3-5-8(11)7-9/h3,5-7,10,12-13H,2,4H2,1H3
InChIKeySDJYDORLFAZNLX-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.87
Rot. Bonds4

About 1-(3-chloroanilino)butan-1-ol

1-(3-chloroanilino)butan-1-ol (PubChem CID 143119742) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(3-chloroanilino)butan-1-ol.

Molecular Properties

Compound Name1-(3-chloroanilino)butan-1-ol
PubChem CID143119742
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(3-chloroanilino)butan-1-ol
SMILESCCCC(O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-2-4-10(13)12-9-6-3-5-8(11)7-9/h3,5-7,10,12-13H,2,4H2,1H3
InChIKeySDJYDORLFAZNLX-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-chloroanilino)pentanoic acid
CID 40801075
3-chloro-N-(2-methylpentyl)aniline
CID 43105827
4-(3-chloroanilino)pentan-1-ol
CID 115975852
2-bromo-N-(3-chlorophenyl)pentanamide
CID 19256824
3-N-(3-chlorophenyl)butane-1,3-diamine
CID 117027031
ethyl 2-(3-chloroanilino)-3-methylbutanoate
CID 61317893
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
3-chloro-N-(4-methylpentan-2-yl)aniline
CID 43111106
1-(3-chlorophenyl)-2-hydroxypentan-1-one
CID 67470935
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122
2-[2-(3-chloroanilino)-2-oxoethyl]pentanoic acid
CID 112517515
2-(3-chloroanilino)-N'-hydroxybutanimidamide
CID 77026492

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroanilino)butan-1-ol?
The IUPAC name of 1-(3-chloroanilino)butan-1-ol (CID 143119742) is 1-(3-chloroanilino)butan-1-ol.
What is the SMILES notation for 1-(3-chloroanilino)butan-1-ol?
The canonical SMILES for 1-(3-chloroanilino)butan-1-ol is CCCC(O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chloroanilino)butan-1-ol?
The InChIKey is SDJYDORLFAZNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-4-10(13)12-9-6-3-5-8(11)7-9/h3,5-7,10,12-13H,2,4H2,1H3.
What are the key properties of 1-(3-chloroanilino)butan-1-ol?
1-(3-chloroanilino)butan-1-ol has a molecular weight of 199.68 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroanilino)butan-1-ol is sourced from PubChem (CID 143119742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).