1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine

C19H24ClN5O — CID 652481

IUPAC1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine
SMILESCCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)Cc1ccco1
InChIInChI=1S/C19H24ClN5O/c1-4-19(2,3)25-18(21-22-23-25)14-24(13-17-6-5-11-26-17)12-15-7-9-16(20)10-8-15/h5-11H,4,12-14H2,1-3H3
InChIKeyXUXVUUBDVADVNV-UHFFFAOYSA-N
MW373.89 g/mol
LogP4.27
Rot. Bonds8

About 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine

1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine (PubChem CID 652481) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine
PubChem CID652481
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine
SMILESCCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)Cc1ccco1
InChIInChI=1S/C19H24ClN5O/c1-4-19(2,3)25-18(21-22-23-25)14-24(13-17-6-5-11-26-17)12-15-7-9-16(20)10-8-15/h5-11H,4,12-14H2,1-3H3
InChIKeyXUXVUUBDVADVNV-UHFFFAOYSA-N
XLogP4.27
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine (CID 652481) is 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine is CCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)Cc1ccco1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine?
The InChIKey is XUXVUUBDVADVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-4-19(2,3)25-18(21-22-23-25)14-24(13-17-6-5-11-26-17)12-15-7-9-16(20)10-8-15/h5-11H,4,12-14H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine?
1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine has a molecular weight of 373.89 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]methanamine is sourced from PubChem (CID 652481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).