N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine

C22H27N5O — CID 30314584

IUPACN-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCOc1ccccc1-n1nnnc1C1(NCc2ccccc2)CCC(C)CC1
InChIInChI=1S/C22H27N5O/c1-17-12-14-22(15-13-17,23-16-18-8-4-3-5-9-18)21-24-25-26-27(21)19-10-6-7-11-20(19)28-2/h3-11,17,23H,12-16H2,1-2H3
InChIKeyXORNZMWPJHMLAQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.87
Rot. Bonds6

About N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine

N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine (PubChem CID 30314584) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
PubChem CID30314584
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCOc1ccccc1-n1nnnc1C1(NCc2ccccc2)CCC(C)CC1
InChIInChI=1S/C22H27N5O/c1-17-12-14-22(15-13-17,23-16-18-8-4-3-5-9-18)21-24-25-26-27(21)19-10-6-7-11-20(19)28-2/h3-11,17,23H,12-16H2,1-2H3
InChIKeyXORNZMWPJHMLAQ-UHFFFAOYSA-N
XLogP3.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30312238
1-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-1,3-dimethylurea
CID 30313624
2-methoxy-N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylacetamide
CID 30313473
ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313814
N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30312000
ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 30310135
methyl 2-[5-[1-[(2-ethoxy-2-oxoethyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312689
methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310660
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
CID 30314444
1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine
CID 30314136
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
CID 30312897
ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
CID 30312714

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine (CID 30314584) is N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine is COc1ccccc1-n1nnnc1C1(NCc2ccccc2)CCC(C)CC1.
What is the InChIKey of N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine?
The InChIKey is XORNZMWPJHMLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-12-14-22(15-13-17,23-16-18-8-4-3-5-9-18)21-24-25-26-27(21)19-10-6-7-11-20(19)28-2/h3-11,17,23H,12-16H2,1-2H3.
What are the key properties of N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine?
N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine has a molecular weight of 377.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 30314584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).