1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol

C43H42N2O3 — CID 10579918

IUPAC1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
SMILESCOc1ccc(C(NCC(O)CNC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H42N2O3/c1-47-40-27-23-37(24-28-40)42(33-15-7-3-8-16-33,34-17-9-4-10-18-34)44-31-39(46)32-45-43(35-19-11-5-12-20-35,36-21-13-6-14-22-36)38-25-29-41(48-2)30-26-38/h3-30,39,44-46H,31-32H2,1-2H3
InChIKeyQIUJGARBTVVJDB-UHFFFAOYSA-N
MW634.82 g/mol
LogP7.53
Rot. Bonds14

About 1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol

1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol (PubChem CID 10579918) has the molecular formula C43H42N2O3 and a molecular weight of 634.82 g/mol. Its IUPAC name is 1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
PubChem CID10579918
Molecular FormulaC43H42N2O3
Molecular Weight634.82 g/mol
Exact Mass634.32
IUPAC Name1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
SMILESCOc1ccc(C(NCC(O)CNC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H42N2O3/c1-47-40-27-23-37(24-28-40)42(33-15-7-3-8-16-33,34-17-9-4-10-18-34)44-31-39(46)32-45-43(35-19-11-5-12-20-35,36-21-13-6-14-22-36)38-25-29-41(48-2)30-26-38/h3-30,39,44-46H,31-32H2,1-2H3
InChIKeyQIUJGARBTVVJDB-UHFFFAOYSA-N
XLogP7.53
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 57.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
CID 11795851
1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
CID 70004134
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
CID 135215406
(2R,3S)-2-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-3-hydroxybutanoic acid
CID 175799050
ethane;3-methyl-1-(tritylamino)butan-2-ol
CID 142862974
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
(1S)-1-phenyl-2-(tritylamino)ethanol
CID 69267924
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-4-phenylbutan-2-ol
CID 22640950
6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol
CID 101065100
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
4-[[(4-methoxyphenyl)-diphenylmethyl]amino]benzoic acid
CID 13008997

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol?
The IUPAC name of 1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol (CID 10579918) is 1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol.
What is the SMILES notation for 1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol?
The canonical SMILES for 1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol is COc1ccc(C(NCC(O)CNC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol?
The InChIKey is QIUJGARBTVVJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N2O3/c1-47-40-27-23-37(24-28-40)42(33-15-7-3-8-16-33,34-17-9-4-10-18-34)44-31-39(46)32-45-43(35-19-11-5-12-20-35,36-21-13-6-14-22-36)38-25-29-41(48-2)30-26-38/h3-30,39,44-46H,31-32H2,1-2H3.
What are the key properties of 1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol?
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol has a molecular weight of 634.82 g/mol, XLogP of 7.53, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol is sourced from PubChem (CID 10579918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).