N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline

C42H67NO2 — CID 134297985

IUPACN-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline
SMILESCc1c(C)c2c(c(C)c1OCc1cccc(NC3CCCCC3)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C42H67NO2/c1-30(2)16-12-17-31(3)18-13-19-32(4)20-15-26-42(8)27-25-39-35(7)40(33(5)34(6)41(39)45-42)44-29-36-21-14-24-38(28-36)43-37-22-10-9-11-23-37/h14,21,24,28,30-32,37,43H,9-13,15-20,22-23,25-27,29H2,1-8H3/t31-,32-,42-/m1/s1
InChIKeyIBCFYWSILHULPW-RHMQKSMJSA-N
MW618.00 g/mol
LogP12.46
Rot. Bonds17

About N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline

N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline (PubChem CID 134297985) has the molecular formula C42H67NO2 and a molecular weight of 618.00 g/mol. Its IUPAC name is N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline.

Molecular Properties

Compound NameN-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline
PubChem CID134297985
Molecular FormulaC42H67NO2
Molecular Weight618.00 g/mol
Exact Mass617.52
IUPAC NameN-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline
SMILESCc1c(C)c2c(c(C)c1OCc1cccc(NC3CCCCC3)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C42H67NO2/c1-30(2)16-12-17-31(3)18-13-19-32(4)20-15-26-42(8)27-25-39-35(7)40(33(5)34(6)41(39)45-42)44-29-36-21-14-24-38(28-36)43-37-22-10-9-11-23-37/h14,21,24,28,30-32,37,43H,9-13,15-20,22-23,25-27,29H2,1-8H3/t31-,32-,42-/m1/s1
InChIKeyIBCFYWSILHULPW-RHMQKSMJSA-N
XLogP12.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.00
LogP ≤ 512.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline?
The IUPAC name of N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline (CID 134297985) is N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline.
What is the SMILES notation for N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline?
The canonical SMILES for N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline is Cc1c(C)c2c(c(C)c1OCc1cccc(NC3CCCCC3)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.
What is the InChIKey of N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline?
The InChIKey is IBCFYWSILHULPW-RHMQKSMJSA-N. The full InChI is InChI=1S/C42H67NO2/c1-30(2)16-12-17-31(3)18-13-19-32(4)20-15-26-42(8)27-25-39-35(7)40(33(5)34(6)41(39)45-42)44-29-36-21-14-24-38(28-36)43-37-22-10-9-11-23-37/h14,21,24,28,30-32,37,43H,9-13,15-20,22-23,25-27,29H2,1-8H3/t31-,32-,42-/m1/s1.
What are the key properties of N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline?
N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline has a molecular weight of 618.00 g/mol, XLogP of 12.46, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxymethyl]aniline is sourced from PubChem (CID 134297985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).