2-[(4-chloroanilino)methyl]butan-1-ol

C11H16ClNO — CID 15086649

IUPAC2-[(4-chloroanilino)methyl]butan-1-ol
SMILESCCC(CO)CNc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-2-9(8-14)7-13-11-5-3-10(12)4-6-11/h3-6,9,13-14H,2,7-8H2,1H3
InChIKeyZECWQKAPXAOIAR-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.77
Rot. Bonds5

About 2-[(4-chloroanilino)methyl]butan-1-ol

2-[(4-chloroanilino)methyl]butan-1-ol (PubChem CID 15086649) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-[(4-chloroanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(4-chloroanilino)methyl]butan-1-ol
PubChem CID15086649
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-[(4-chloroanilino)methyl]butan-1-ol
SMILESCCC(CO)CNc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-2-9(8-14)7-13-11-5-3-10(12)4-6-11/h3-6,9,13-14H,2,7-8H2,1H3
InChIKeyZECWQKAPXAOIAR-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloroanilino)propane-1,2-diol
CID 76891534
2-[(4-chlorophenyl)methyl]butan-1-ol
CID 50898989
2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol
CID 115250495
1-N-(4-chlorophenyl)propane-1,2-diamine
CID 18972775
(2S)-3-(4-chloroanilino)-2-methylpropanoic acid
CID 93107526
4-(2-chloroethyl)-N-(2-ethylbutyl)aniline
CID 82923891
[4-(2-ethylbutylamino)phenyl]urea
CID 43744912
1-(butylamino)-3-(4-chloroanilino)propan-2-ol
CID 3030953
N-(4-chlorophenyl)-2-(2-ethylbutylamino)acetamide
CID 115592340
(2S)-2-(4-chloroanilino)propan-1-ol
CID 66929513
4-(2-ethylbutylamino)-2-fluorophenol
CID 64782965
4-chloro-N-(3-methylpentyl)aniline
CID 173121721

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloroanilino)methyl]butan-1-ol?
The IUPAC name of 2-[(4-chloroanilino)methyl]butan-1-ol (CID 15086649) is 2-[(4-chloroanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(4-chloroanilino)methyl]butan-1-ol?
The canonical SMILES for 2-[(4-chloroanilino)methyl]butan-1-ol is CCC(CO)CNc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chloroanilino)methyl]butan-1-ol?
The InChIKey is ZECWQKAPXAOIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-2-9(8-14)7-13-11-5-3-10(12)4-6-11/h3-6,9,13-14H,2,7-8H2,1H3.
What are the key properties of 2-[(4-chloroanilino)methyl]butan-1-ol?
2-[(4-chloroanilino)methyl]butan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloroanilino)methyl]butan-1-ol is sourced from PubChem (CID 15086649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).