2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol

C13H19N5O — CID 65338038

IUPAC2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
SMILESCc1ccc(NC(C)C(C)(C)O)cc1-n1cnnn1
InChIInChI=1S/C13H19N5O/c1-9-5-6-11(15-10(2)13(3,4)19)7-12(9)18-8-14-16-17-18/h5-8,10,15,19H,1-4H3
InChIKeyDWEOBUUDCLNAEP-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.54
Rot. Bonds4

About 2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol

2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol (PubChem CID 65338038) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
PubChem CID65338038
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
SMILESCc1ccc(NC(C)C(C)(C)O)cc1-n1cnnn1
InChIInChI=1S/C13H19N5O/c1-9-5-6-11(15-10(2)13(3,4)19)7-12(9)18-8-14-16-17-18/h5-8,10,15,19H,1-4H3
InChIKeyDWEOBUUDCLNAEP-UHFFFAOYSA-N
XLogP1.54
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338078
2-[4-methyl-3-(tetrazol-1-yl)anilino]butanoic acid
CID 115352922
4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline
CID 63990478
4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928952
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
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
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751
N-(1-cyclopropylpropyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 64920339
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol?
The IUPAC name of 2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol (CID 65338038) is 2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol is Cc1ccc(NC(C)C(C)(C)O)cc1-n1cnnn1.
What is the InChIKey of 2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol?
The InChIKey is DWEOBUUDCLNAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-5-6-11(15-10(2)13(3,4)19)7-12(9)18-8-14-16-17-18/h5-8,10,15,19H,1-4H3.
What are the key properties of 2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol?
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol has a molecular weight of 261.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol is sourced from PubChem (CID 65338038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).