2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine

C18H21N5 — CID 139791602

IUPAC2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NC(c1ccccc1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C18H21N5/c1-18(2,3)19-16(13-8-5-4-6-9-13)14-10-7-11-15(12-14)17-20-22-23-21-17/h4-12,16,19H,1-3H3,(H,20,21,22,23)
InChIKeySPLLKCQDSLCLNT-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.34
Rot. Bonds4

About 2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine

2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine (PubChem CID 139791602) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
PubChem CID139791602
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NC(c1ccccc1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C18H21N5/c1-18(2,3)19-16(13-8-5-4-6-9-13)14-10-7-11-15(12-14)17-20-22-23-21-17/h4-12,16,19H,1-3H3,(H,20,21,22,23)
InChIKeySPLLKCQDSLCLNT-UHFFFAOYSA-N
XLogP3.34
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-tert-butylphenyl)-2H-tetrazole
CID 22972916
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
2-methyl-3-[3-(2H-tetrazol-5-yl)anilino]butan-2-ol
CID 65338140
N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 167840769
[4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
CID 57222007
[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol
CID 57211358
5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 166324368
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
5-(3-chlorophenyl)-2H-tetrazole;5-(2-fluorophenyl)-2H-tetrazole;octakis(5-(4-methylphenyl)-2H-tetrazole);5-phenyl-2H-tetrazole
CID 159225872
3-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-N-thiophen-3-ylbutanamide
CID 166311795
5-methoxy-2-[phenyl-(1-phenylethylamino)methyl]-3-(2H-tetrazol-5-yl)phenol
CID 70286193
3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
CID 53427079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine (CID 139791602) is 2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine is CC(C)(C)NC(c1ccccc1)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine?
The InChIKey is SPLLKCQDSLCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-18(2,3)19-16(13-8-5-4-6-9-13)14-10-7-11-15(12-14)17-20-22-23-21-17/h4-12,16,19H,1-3H3,(H,20,21,22,23).
What are the key properties of 2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine?
2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 139791602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).