[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol

C16H17N5O — CID 110006499

IUPAC[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
SMILESCc1ccc(NCc2ccc(CO)cc2)cc1-n1cnnn1
InChIInChI=1S/C16H17N5O/c1-12-2-7-15(8-16(12)21-11-18-19-20-21)17-9-13-3-5-14(10-22)6-4-13/h2-8,11,17,22H,9-10H2,1H3
InChIKeyKFZJHFTYGBLCOH-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.08
Rot. Bonds5

About [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol

[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol (PubChem CID 110006499) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
PubChem CID110006499
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
SMILESCc1ccc(NCc2ccc(CO)cc2)cc1-n1cnnn1
InChIInChI=1S/C16H17N5O/c1-12-2-7-15(8-16(12)21-11-18-19-20-21)17-9-13-3-5-14(10-22)6-4-13/h2-8,11,17,22H,9-10H2,1H3
InChIKeyKFZJHFTYGBLCOH-UHFFFAOYSA-N
XLogP2.08
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol 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

4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 62760471
4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline
CID 43738071
4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758879
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 60780934
N-[(6-bromo-2-pyridinyl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 115938074
N-[(1-ethylimidazol-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 62351165
N-(2,2-dimethoxyethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 55231877
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
CID 104756623
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751

Frequently Asked Questions

What is the IUPAC name of [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol (CID 110006499) is [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol is Cc1ccc(NCc2ccc(CO)cc2)cc1-n1cnnn1.
What is the InChIKey of [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol?
The InChIKey is KFZJHFTYGBLCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12-2-7-15(8-16(12)21-11-18-19-20-21)17-9-13-3-5-14(10-22)6-4-13/h2-8,11,17,22H,9-10H2,1H3.
What are the key properties of [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol?
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol has a molecular weight of 295.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 110006499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).