N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline

C15H14ClN5 — CID 43702187

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cnnn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN5/c1-11(12-6-8-13(16)9-7-12)18-14-4-2-3-5-15(14)21-10-17-19-20-21/h2-11,18H,1H3
InChIKeyLAKHCWNQHGSXHM-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline

N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline (PubChem CID 43702187) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
PubChem CID43702187
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cnnn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN5/c1-11(12-6-8-13(16)9-7-12)18-14-4-2-3-5-15(14)21-10-17-19-20-21/h2-11,18H,1H3
InChIKeyLAKHCWNQHGSXHM-UHFFFAOYSA-N
XLogP3.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702199
2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline
CID 62091747
N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline
CID 102868555
N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 63992655
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 61333962
N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline
CID 55096519
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide
CID 110887488
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702094

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline (CID 43702187) is N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline is CC(Nc1ccccc1-n1cnnn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline?
The InChIKey is LAKHCWNQHGSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-11(12-6-8-13(16)9-7-12)18-14-4-2-3-5-15(14)21-10-17-19-20-21/h2-11,18H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline?
N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline has a molecular weight of 299.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43702187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).