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

C13H20ClNO — CID 81410986

IUPAC2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-3-13(4-2,10-16)9-15-12-7-5-11(14)6-8-12/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyRVUWRVRBYYUQMG-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.55
Rot. Bonds6

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

2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol (PubChem CID 81410986) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
PubChem CID81410986
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-3-13(4-2,10-16)9-15-12-7-5-11(14)6-8-12/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyRVUWRVRBYYUQMG-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
CID 81411598
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]propan-1-one
CID 106257829
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
2-ethyl-2-[(4-nitroanilino)methyl]butan-1-ol
CID 81413516
N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 106256392
2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81418881
2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
CID 81411803
2-[(4-chloro-3-nitroanilino)methyl]-2-ethylbutan-1-ol
CID 81413214
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844707
2-ethyl-2-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]butan-1-ol
CID 81399724
2-ethyl-2-[(pyrimidin-5-ylamino)methyl]butan-1-ol
CID 107588244
2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
CID 81411805

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol (CID 81410986) is 2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol?
The InChIKey is RVUWRVRBYYUQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-13(4-2,10-16)9-15-12-7-5-11(14)6-8-12/h5-8,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol?
2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol has a molecular weight of 241.76 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81410986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).