N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine

C14H20ClN5 — CID 62763846

IUPACN-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(c1ccccc1Cl)n1nnnc1CNC(C)(C)C
InChIInChI=1S/C14H20ClN5/c1-10(11-7-5-6-8-12(11)15)20-13(17-18-19-20)9-16-14(2,3)4/h5-8,10,16H,9H2,1-4H3
InChIKeyJAMFGLSNXGYJIU-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.82
Rot. Bonds4

About N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62763846) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID62763846
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC NameN-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(c1ccccc1Cl)n1nnnc1CNC(C)(C)C
InChIInChI=1S/C14H20ClN5/c1-10(11-7-5-6-8-12(11)15)20-13(17-18-19-20)9-16-14(2,3)4/h5-8,10,16H,9H2,1-4H3
InChIKeyJAMFGLSNXGYJIU-UHFFFAOYSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62762587
N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62762591
N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62763671
2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761534
N-tert-butyl-3-(2-chlorophenyl)butan-1-amine
CID 81018856
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166997
1-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
CID 110897656
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435
(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81377691
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine (CID 62763846) is N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine is CC(c1ccccc1Cl)n1nnnc1CNC(C)(C)C.
What is the InChIKey of N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JAMFGLSNXGYJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-10(11-7-5-6-8-12(11)15)20-13(17-18-19-20)9-16-14(2,3)4/h5-8,10,16H,9H2,1-4H3.
What are the key properties of N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.80 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62763846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).