2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine

C11H14ClN5 — CID 107054007

IUPAC2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
SMILESCn1nnc(CNCC(Cl)c2ccccc2)n1
InChIInChI=1S/C11H14ClN5/c1-17-15-11(14-16-17)8-13-7-10(12)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3
InChIKeyWMUAAUQINVNCOL-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.28
Rot. Bonds5

About 2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine

2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine (PubChem CID 107054007) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound Name2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
PubChem CID107054007
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
SMILESCn1nnc(CNCC(Cl)c2ccccc2)n1
InChIInChI=1S/C11H14ClN5/c1-17-15-11(14-16-17)8-13-7-10(12)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3
InChIKeyWMUAAUQINVNCOL-UHFFFAOYSA-N
XLogP1.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-2-phenylethanamine
CID 82871683
3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
CID 107053280
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65026294
N-[(2-methyltetrazol-5-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 107042355
2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 65026851
1-(3-methyl-2-pyridinyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042405
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037
1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol
CID 107046002
1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
CID 107064725
2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine
CID 65026626

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine?
The IUPAC name of 2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine (CID 107054007) is 2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for 2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine?
The canonical SMILES for 2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine is Cn1nnc(CNCC(Cl)c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine?
The InChIKey is WMUAAUQINVNCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-17-15-11(14-16-17)8-13-7-10(12)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3.
What are the key properties of 2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine?
2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine has a molecular weight of 251.72 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 107054007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).