2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine

C11H14ClN5 — CID 107053375

IUPAC2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCn1nnc(CC(CN)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H14ClN5/c1-17-15-11(14-16-17)6-9(7-13)8-2-4-10(12)5-3-8/h2-5,9H,6-7,13H2,1H3
InChIKeyYKDPFWYSWHOCRZ-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.15
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine

2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107053375) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107053375
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCn1nnc(CC(CN)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H14ClN5/c1-17-15-11(14-16-17)6-9(7-13)8-2-4-10(12)5-3-8/h2-5,9H,6-7,13H2,1H3
InChIKeyYKDPFWYSWHOCRZ-UHFFFAOYSA-N
XLogP1.15
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048349
2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057854
5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole
CID 132532982
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
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107052807
2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053428
2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
CID 106323760
5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline
CID 107066106
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065787
3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
CID 107053280

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107053375) is 2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine is Cn1nnc(CC(CN)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is YKDPFWYSWHOCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-17-15-11(14-16-17)6-9(7-13)8-2-4-10(12)5-3-8/h2-5,9H,6-7,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine?
2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 251.72 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107053375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).