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

C16H17N5 — CID 43732867

IUPAC3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCCc2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C16H17N5/c1-13-11-15(7-8-16(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
InChIKeySQJKQXPYLCCKOE-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.63
Rot. Bonds5

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

3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline (PubChem CID 43732867) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
PubChem CID43732867
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCCc2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C16H17N5/c1-13-11-15(7-8-16(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
InChIKeySQJKQXPYLCCKOE-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

4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline
CID 43738071
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
CID 104756623
3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 107235182
3-methyl-4-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63655002
3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
2-methyl-4-(2-phenylethylamino)benzonitrile
CID 81273543
3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442053

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline?
The IUPAC name of 3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline (CID 43732867) is 3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for 3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline?
The canonical SMILES for 3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline is Cc1cc(NCCc2ccccc2)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline?
The InChIKey is SQJKQXPYLCCKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-13-11-15(7-8-16(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 3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline?
3-methyl-N-(2-phenylethyl)-4-(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 3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43732867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).