bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol

C31H35NO4 — CID 46017661

IUPACbis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3ccc(C)cc3)C(C)C)o2)cc1
InChIInChI=1S/C31H35NO4/c1-22(2)32(20-24-8-6-23(3)7-9-24)21-29-18-19-30(36-29)31(33,25-10-14-27(34-4)15-11-25)26-12-16-28(35-5)17-13-26/h6-19,22,33H,20-21H2,1-5H3
InChIKeyRFOWVIGSNXEHRO-UHFFFAOYSA-N
MW485.62 g/mol
LogP6.30
Rot. Bonds10

About bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol

bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol (PubChem CID 46017661) has the molecular formula C31H35NO4 and a molecular weight of 485.62 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Namebis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol
PubChem CID46017661
Molecular FormulaC31H35NO4
Molecular Weight485.62 g/mol
Exact Mass485.26
IUPAC Namebis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3ccc(C)cc3)C(C)C)o2)cc1
InChIInChI=1S/C31H35NO4/c1-22(2)32(20-24-8-6-23(3)7-9-24)21-29-18-19-30(36-29)31(33,25-10-14-27(34-4)15-11-25)26-12-16-28(35-5)17-13-26/h6-19,22,33H,20-21H2,1-5H3
InChIKeyRFOWVIGSNXEHRO-UHFFFAOYSA-N
XLogP6.30
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.62
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

[5-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 93176903
[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 42839379
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol
CID 42839404
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 24717348
(2S)-1-[[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93163770
[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 46017671
1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol
CID 174233257
3-[(4-methoxyphenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82328647
2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol
CID 42839343
1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene
CID 170262798
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol?
The IUPAC name of bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol (CID 46017661) is bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol is COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3ccc(C)cc3)C(C)C)o2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol?
The InChIKey is RFOWVIGSNXEHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NO4/c1-22(2)32(20-24-8-6-23(3)7-9-24)21-29-18-19-30(36-29)31(33,25-10-14-27(34-4)15-11-25)26-12-16-28(35-5)17-13-26/h6-19,22,33H,20-21H2,1-5H3.
What are the key properties of bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol?
bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol has a molecular weight of 485.62 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 46017661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).