2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline

C11H14ClN5O — CID 55086376

IUPAC2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
SMILESCOCC(C)Nc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C11H14ClN5O/c1-8(6-18-2)14-11-5-9(3-4-10(11)12)17-7-13-15-16-17/h3-5,7-8,14H,6H2,1-2H3
InChIKeyPNNZGKABMVTZCL-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.76
Rot. Bonds5

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

2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline (PubChem CID 55086376) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
PubChem CID55086376
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
SMILESCOCC(C)Nc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C11H14ClN5O/c1-8(6-18-2)14-11-5-9(3-4-10(11)12)17-7-13-15-16-17/h3-5,7-8,14H,6H2,1-2H3
InChIKeyPNNZGKABMVTZCL-UHFFFAOYSA-N
XLogP1.76
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide
CID 60581267
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196426
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838819
4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
CID 62536792
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
CID 62072086
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 61178561
2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
CID 81401098
3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline (CID 55086376) is 2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline is COCC(C)Nc1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline?
The InChIKey is PNNZGKABMVTZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-8(6-18-2)14-11-5-9(3-4-10(11)12)17-7-13-15-16-17/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline?
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline has a molecular weight of 267.72 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 55086376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).