1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol

C20H26INO3 — CID 174233257

IUPAC1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C(I)C(C)(C)O)cc1
InChIInChI=1S/C20H26INO3/c1-20(2,23)19(21)22(13-15-5-9-17(24-3)10-6-15)14-16-7-11-18(25-4)12-8-16/h5-12,19,23H,13-14H2,1-4H3
InChIKeyYINYEKNNDCGIBB-UHFFFAOYSA-N
MW455.34 g/mol
LogP4.24
Rot. Bonds8

About 1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol

1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol (PubChem CID 174233257) has the molecular formula C20H26INO3 and a molecular weight of 455.34 g/mol. Its IUPAC name is 1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol
PubChem CID174233257
Molecular FormulaC20H26INO3
Molecular Weight455.34 g/mol
Exact Mass455.10
IUPAC Name1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C(I)C(C)(C)O)cc1
InChIInChI=1S/C20H26INO3/c1-20(2,23)19(21)22(13-15-5-9-17(24-3)10-6-15)14-16-7-11-18(25-4)12-8-16/h5-12,19,23H,13-14H2,1-4H3
InChIKeyYINYEKNNDCGIBB-UHFFFAOYSA-N
XLogP4.24
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
CID 143325081
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466
3-[(4-methoxyphenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82328647
1-[bis[(4-methoxyphenyl)methyl]amino]-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 166517138
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 61420505
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62394123
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741
2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylhept-6-ene-3-sulfonamide
CID 130367829
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342

Frequently Asked Questions

What is the IUPAC name of 1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol?
The IUPAC name of 1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol (CID 174233257) is 1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol.
What is the SMILES notation for 1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol?
The canonical SMILES for 1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol is COc1ccc(CN(Cc2ccc(OC)cc2)C(I)C(C)(C)O)cc1.
What is the InChIKey of 1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol?
The InChIKey is YINYEKNNDCGIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26INO3/c1-20(2,23)19(21)22(13-15-5-9-17(24-3)10-6-15)14-16-7-11-18(25-4)12-8-16/h5-12,19,23H,13-14H2,1-4H3.
What are the key properties of 1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol?
1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol has a molecular weight of 455.34 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[(4-methoxyphenyl)methyl]amino]-1-iodo-2-methylpropan-2-ol is sourced from PubChem (CID 174233257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).