1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine

C11H14ClN5 — CID 114081217

IUPAC1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1nn[nH]n1
InChIInChI=1S/C11H14ClN5/c1-8(13-7-11-14-16-17-15-11)6-9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3,(H,14,15,16,17)
InChIKeyAZTDEBVJQBMJKG-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.57
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine

1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine (PubChem CID 114081217) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine
PubChem CID114081217
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1nn[nH]n1
InChIInChI=1S/C11H14ClN5/c1-8(13-7-11-14-16-17-15-11)6-9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3,(H,14,15,16,17)
InChIKeyAZTDEBVJQBMJKG-UHFFFAOYSA-N
XLogP1.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
1-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 113438644
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine
CID 83069464
1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 113230700
1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine
CID 103910707
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
5-[3-(4-chlorophenyl)propyl]-2H-tetrazole
CID 69284170
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
CID 63001280
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine (CID 114081217) is 1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine is CC(Cc1ccc(Cl)cc1)NCc1nn[nH]n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine?
The InChIKey is AZTDEBVJQBMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-8(13-7-11-14-16-17-15-11)6-9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3,(H,14,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine?
1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine has a molecular weight of 251.72 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 114081217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).