N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride

C18H27ClFN5 — CID 6603118

IUPACN-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride
SMILESCCN(CC)C(c1ccc(F)cc1)c1nnnn1C1CCCCC1.Cl
InChIInChI=1S/C18H26FN5.ClH/c1-3-23(4-2)17(14-10-12-15(19)13-11-14)18-20-21-22-24(18)16-8-6-5-7-9-16;/h10-13,16-17H,3-9H2,1-2H3;1H
InChIKeyPRNBZBPYNMYCPC-UHFFFAOYSA-N
MW367.90 g/mol
LogP4.17
Rot. Bonds6

About N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride

N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride (PubChem CID 6603118) has the molecular formula C18H27ClFN5 and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride
PubChem CID6603118
Molecular FormulaC18H27ClFN5
Molecular Weight367.90 g/mol
Exact Mass367.19
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride
SMILESCCN(CC)C(c1ccc(F)cc1)c1nnnn1C1CCCCC1.Cl
InChIInChI=1S/C18H26FN5.ClH/c1-3-23(4-2)17(14-10-12-15(19)13-11-14)18-20-21-22-24(18)16-8-6-5-7-9-16;/h10-13,16-17H,3-9H2,1-2H3;1H
InChIKeyPRNBZBPYNMYCPC-UHFFFAOYSA-N
XLogP4.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-5-phenyl-1H-tetraazole
CID 307907
1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperazin-1-yl)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158698
1-[(1-Benzyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193465
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158813
1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159170
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159172
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-methyl-1,4-diazepane
CID 49865047
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-ethyl-1,4-diazepane
CID 49865048
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclopentyl-1,4-diazepane
CID 49865109
1-((1-benzyl-1H-tetrazol-5-yl)(4-isopropylphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865448

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride (CID 6603118) is N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride is CCN(CC)C(c1ccc(F)cc1)c1nnnn1C1CCCCC1.Cl.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride?
The InChIKey is PRNBZBPYNMYCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5.ClH/c1-3-23(4-2)17(14-10-12-15(19)13-11-14)18-20-21-22-24(18)16-8-6-5-7-9-16;/h10-13,16-17H,3-9H2,1-2H3;1H.
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride?
N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 6603118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).