2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C24H33NO2 — CID 19024077

IUPAC2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCCCCN(CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-6-7-15-25(20-11-9-8-10-12-20)16-24(5)14-13-21-19(4)22(26)17(2)18(3)23(21)27-24/h8-12,26H,6-7,13-16H2,1-5H3
InChIKeyDYSILWSDZNMOST-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.71
Rot. Bonds6

About 2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 19024077) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID19024077
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCCCCN(CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-6-7-15-25(20-11-9-8-10-12-20)16-24(5)14-13-21-19(4)22(26)17(2)18(3)23(21)27-24/h8-12,26H,6-7,13-16H2,1-5H3
InChIKeyDYSILWSDZNMOST-UHFFFAOYSA-N
XLogP5.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 19024077) is 2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is CCCCN(CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1ccccc1.
What is the InChIKey of 2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is DYSILWSDZNMOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-6-7-15-25(20-11-9-8-10-12-20)16-24(5)14-13-21-19(4)22(26)17(2)18(3)23(21)27-24/h8-12,26H,6-7,13-16H2,1-5H3.
What are the key properties of 2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 367.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-butylanilino)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 19024077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).