N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline

C16H17N5 — CID 43781131

IUPACN-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline
SMILESCc1cccc(C(C)Nc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C16H17N5/c1-12-5-3-6-14(9-12)13(2)18-15-7-4-8-16(10-15)21-11-17-19-20-21/h3-11,13,18H,1-2H3
InChIKeyLETHJGGJELJTAK-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.14
Rot. Bonds4

About N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline

N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline (PubChem CID 43781131) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline
PubChem CID43781131
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline
SMILESCc1cccc(C(C)Nc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C16H17N5/c1-12-5-3-6-14(9-12)13(2)18-15-7-4-8-16(10-15)21-11-17-19-20-21/h3-11,13,18H,1-2H3
InChIKeyLETHJGGJELJTAK-UHFFFAOYSA-N
XLogP3.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43684011
N-[1-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43683959
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol
CID 43207009
5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine
CID 103932356
3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43683983
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
CID 43683982
2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile
CID 43823269
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline (CID 43781131) is N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline is Cc1cccc(C(C)Nc2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is LETHJGGJELJTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-5-3-6-14(9-12)13(2)18-15-7-4-8-16(10-15)21-11-17-19-20-21/h3-11,13,18H,1-2H3.
What are the key properties of N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline?
N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline has a molecular weight of 279.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43781131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).