2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol

C14H20ClN5O — CID 81401098

IUPAC2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C14H20ClN5O/c1-3-14(4-2,9-21)8-16-13-7-11(5-6-12(13)15)20-10-17-18-19-20/h5-7,10,16,21H,3-4,8-9H2,1-2H3
InChIKeyIBVQMZMWCQLUNA-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.53
Rot. Bonds7

About 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol

2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol (PubChem CID 81401098) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
PubChem CID81401098
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C14H20ClN5O/c1-3-14(4-2,9-21)8-16-13-7-11(5-6-12(13)15)20-10-17-18-19-20/h5-7,10,16,21H,3-4,8-9H2,1-2H3
InChIKeyIBVQMZMWCQLUNA-UHFFFAOYSA-N
XLogP2.53
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-chloro-5-(tetrazol-1-yl)anilino]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

3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222
2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
CID 62072086
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 61178741
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline
CID 81308331
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130
2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43698278
2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol
CID 81411606
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838819
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine
CID 43697974
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine
CID 66386543

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol (CID 81401098) is 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol?
The InChIKey is IBVQMZMWCQLUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-3-14(4-2,9-21)8-16-13-7-11(5-6-12(13)15)20-10-17-18-19-20/h5-7,10,16,21H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol?
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol has a molecular weight of 309.80 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81401098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).