N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan

C33H33NO — CID 70565879

IUPACN-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan
SMILESCc1ccccc1C(c1ccco1)c1ccccc1C.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C19H18O.C14H15N/c1-14-8-3-5-10-16(14)19(18-12-7-13-20-18)17-11-6-4-9-15(17)2;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h3-13,19H,1-2H3;1-10,15H,11-12H2
InChIKeyMYPZXIXNIAGESD-UHFFFAOYSA-N
MW459.63 g/mol
LogP8.05
Rot. Bonds7

About N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan

N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan (PubChem CID 70565879) has the molecular formula C33H33NO and a molecular weight of 459.63 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan
PubChem CID70565879
Molecular FormulaC33H33NO
Molecular Weight459.63 g/mol
Exact Mass459.26
IUPAC NameN-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan
SMILESCc1ccccc1C(c1ccco1)c1ccccc1C.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C19H18O.C14H15N/c1-14-8-3-5-10-16(14)19(18-12-7-13-20-18)17-11-6-4-9-15(17)2;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h3-13,19H,1-2H3;1-10,15H,11-12H2
InChIKeyMYPZXIXNIAGESD-UHFFFAOYSA-N
XLogP8.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan?
The IUPAC name of N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan (CID 70565879) is N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan?
The canonical SMILES for N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan is Cc1ccccc1C(c1ccco1)c1ccccc1C.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan?
The InChIKey is MYPZXIXNIAGESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O.C14H15N/c1-14-8-3-5-10-16(14)19(18-12-7-13-20-18)17-11-6-4-9-15(17)2;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h3-13,19H,1-2H3;1-10,15H,11-12H2.
What are the key properties of N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan?
N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan has a molecular weight of 459.63 g/mol, XLogP of 8.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan is sourced from PubChem (CID 70565879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).