N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine

C37H37FN2 — CID 70885516

IUPACN-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine
SMILESCc1ccccc1N(c1ccc(F)cc1)c1ccc2c(c1)C(C)(C)C1CC=CC3=C1N2C1=C(CCC=C1)C3(C)C
InChIInChI=1S/C37H37FN2/c1-24-11-6-8-15-32(24)39(26-19-17-25(38)18-20-26)27-21-22-34-31(23-27)37(4,5)30-14-10-13-29-35(30)40(34)33-16-9-7-12-28(33)36(29,2)3/h6,8-11,13,15-23,30H,7,12,14H2,1-5H3
InChIKeyBFLAZVXMWKXUPD-UHFFFAOYSA-N
MW528.72 g/mol
LogP10.18
Rot. Bonds3

About N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine

N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine (PubChem CID 70885516) has the molecular formula C37H37FN2 and a molecular weight of 528.72 g/mol. Its IUPAC name is N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine
PubChem CID70885516
Molecular FormulaC37H37FN2
Molecular Weight528.72 g/mol
Exact Mass528.29
IUPAC NameN-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine
SMILESCc1ccccc1N(c1ccc(F)cc1)c1ccc2c(c1)C(C)(C)C1CC=CC3=C1N2C1=C(CCC=C1)C3(C)C
InChIInChI=1S/C37H37FN2/c1-24-11-6-8-15-32(24)39(26-19-17-25(38)18-20-26)27-21-22-34-31(23-27)37(4,5)30-14-10-13-29-35(30)40(34)33-16-9-7-12-28(33)36(29,2)3/h6,8-11,13,15-23,30H,7,12,14H2,1-5H3
InChIKeyBFLAZVXMWKXUPD-UHFFFAOYSA-N
XLogP10.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.72
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine?
The IUPAC name of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine (CID 70885516) is N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine is Cc1ccccc1N(c1ccc(F)cc1)c1ccc2c(c1)C(C)(C)C1CC=CC3=C1N2C1=C(CCC=C1)C3(C)C.
What is the InChIKey of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine?
The InChIKey is BFLAZVXMWKXUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37FN2/c1-24-11-6-8-15-32(24)39(26-19-17-25(38)18-20-26)27-21-22-34-31(23-27)37(4,5)30-14-10-13-29-35(30)40(34)33-16-9-7-12-28(33)36(29,2)3/h6,8-11,13,15-23,30H,7,12,14H2,1-5H3.
What are the key properties of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine?
N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine has a molecular weight of 528.72 g/mol, XLogP of 10.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-methylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15(20),18-heptaen-5-amine is sourced from PubChem (CID 70885516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).