2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline

C12H16ClN5 — CID 43698130

IUPAC2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
SMILESCC(C)C(C)Nc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C12H16ClN5/c1-8(2)9(3)15-12-6-10(4-5-11(12)13)18-7-14-16-17-18/h4-9,15H,1-3H3
InChIKeyUHJBTPNDKAPHPS-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.77
Rot. Bonds4

About 2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline

2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline (PubChem CID 43698130) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
PubChem CID43698130
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
SMILESCC(C)C(C)Nc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C12H16ClN5/c1-8(2)9(3)15-12-6-10(4-5-11(12)13)18-7-14-16-17-18/h4-9,15H,1-3H3
InChIKeyUHJBTPNDKAPHPS-UHFFFAOYSA-N
XLogP2.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 61178561
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 61178741
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196426
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
CID 62072086
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838819
2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
CID 50776835
2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
CID 43697984
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide
CID 60581267
1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline (CID 43698130) is 2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline is CC(C)C(C)Nc1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline?
The InChIKey is UHJBTPNDKAPHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-8(2)9(3)15-12-6-10(4-5-11(12)13)18-7-14-16-17-18/h4-9,15H,1-3H3.
What are the key properties of 2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline?
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline has a molecular weight of 265.75 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43698130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).