4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline

C16H17N5 — CID 43738071

IUPAC4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCCc2ccccc2)cc1-n1cnnn1
InChIInChI=1S/C16H17N5/c1-13-7-8-15(11-16(13)21-12-18-19-20-21)17-10-9-14-5-3-2-4-6-14/h2-8,11-12,17H,9-10H2,1H3
InChIKeyKDAQIWJCGCWMQR-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.63
Rot. Bonds5

About 4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline

4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline (PubChem CID 43738071) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline
PubChem CID43738071
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCCc2ccccc2)cc1-n1cnnn1
InChIInChI=1S/C16H17N5/c1-13-7-8-15(11-16(13)21-12-18-19-20-21)17-10-9-14-5-3-2-4-6-14/h2-8,11-12,17H,9-10H2,1H3
InChIKeyKDAQIWJCGCWMQR-UHFFFAOYSA-N
XLogP2.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499
4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 62760471
N-(2,2-dimethoxyethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 55231877
N-[(6-bromo-2-pyridinyl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 115938074
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751
4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758879
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 60780934
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline?
The IUPAC name of 4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline (CID 43738071) is 4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for 4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline?
The canonical SMILES for 4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline is Cc1ccc(NCCc2ccccc2)cc1-n1cnnn1.
What is the InChIKey of 4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline?
The InChIKey is KDAQIWJCGCWMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-13-7-8-15(11-16(13)21-12-18-19-20-21)17-10-9-14-5-3-2-4-6-14/h2-8,11-12,17H,9-10H2,1H3.
What are the key properties of 4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline?
4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline has a molecular weight of 279.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43738071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).