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

C13H16ClN5 — CID 62072086

IUPAC2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
SMILESClc1ccc(-n2cnnn2)cc1NCC1CCCC1
InChIInChI=1S/C13H16ClN5/c14-12-6-5-11(19-9-16-17-18-19)7-13(12)15-8-10-3-1-2-4-10/h5-7,9-10,15H,1-4,8H2
InChIKeyHDCIMXWYXWLOQQ-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.92
Rot. Bonds4

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

2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline (PubChem CID 62072086) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
PubChem CID62072086
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
SMILESClc1ccc(-n2cnnn2)cc1NCC1CCCC1
InChIInChI=1S/C13H16ClN5/c14-12-6-5-11(19-9-16-17-18-19)7-13(12)15-8-10-3-1-2-4-10/h5-7,9-10,15H,1-4,8H2
InChIKeyHDCIMXWYXWLOQQ-UHFFFAOYSA-N
XLogP2.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62384673
2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927
4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol
CID 106593857
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 62654359
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine
CID 43697974
N-[2-chloro-5-(tetrazol-1-yl)phenyl]azepan-4-amine
CID 103981190
2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
CID 43697984
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-[[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
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline (CID 62072086) is 2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline is Clc1ccc(-n2cnnn2)cc1NCC1CCCC1.
What is the InChIKey of 2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline?
The InChIKey is HDCIMXWYXWLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c14-12-6-5-11(19-9-16-17-18-19)7-13(12)15-8-10-3-1-2-4-10/h5-7,9-10,15H,1-4,8H2.
What are the key properties of 2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline?
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline has a molecular weight of 277.76 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62072086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).