1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine

C10H12ClN5 — CID 107048349

IUPAC1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H12ClN5/c1-16-14-10(13-15-16)6-9(12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3
InChIKeyHNKSOMMGPHZPDN-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.11
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine

1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107048349) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107048349
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H12ClN5/c1-16-14-10(13-15-16)6-9(12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3
InChIKeyHNKSOMMGPHZPDN-UHFFFAOYSA-N
XLogP1.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053375
2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 107048810
1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050223
5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole
CID 132532982
2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine
CID 107049175
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064809
2-[(4-chlorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052955
(1S)-1-(4-chlorophenyl)-3,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 99840997
1-(5-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050206
1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051303
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107064971
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107048349) is 1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine is Cn1nnc(CC(N)c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is HNKSOMMGPHZPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-16-14-10(13-15-16)6-9(12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 237.69 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107048349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).