[4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol

C19H26N2O2 — CID 139470244

IUPAC[4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol
SMILESCOc1ccc(Nc2ccc(C(O)NCCC(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O2/c1-14(2)12-13-20-19(22)15-4-6-16(7-5-15)21-17-8-10-18(23-3)11-9-17/h4-11,14,19-22H,12-13H2,1-3H3
InChIKeyWCUATFPRLAYADN-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.07
Rot. Bonds8

About [4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol

[4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol (PubChem CID 139470244) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol.

Molecular Properties

Compound Name[4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol
PubChem CID139470244
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol
SMILESCOc1ccc(Nc2ccc(C(O)NCCC(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O2/c1-14(2)12-13-20-19(22)15-4-6-16(7-5-15)21-17-8-10-18(23-3)11-9-17/h4-11,14,19-22H,12-13H2,1-3H3
InChIKeyWCUATFPRLAYADN-UHFFFAOYSA-N
XLogP4.07
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942
(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol
CID 124515490
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110308848
(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81370490
2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110174261
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide
CID 112985099

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol?
The IUPAC name of [4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol (CID 139470244) is [4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol.
What is the SMILES notation for [4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol?
The canonical SMILES for [4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol is COc1ccc(Nc2ccc(C(O)NCCC(C)C)cc2)cc1.
What is the InChIKey of [4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol?
The InChIKey is WCUATFPRLAYADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(2)12-13-20-19(22)15-4-6-16(7-5-15)21-17-8-10-18(23-3)11-9-17/h4-11,14,19-22H,12-13H2,1-3H3.
What are the key properties of [4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol?
[4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol has a molecular weight of 314.43 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyanilino)phenyl]-(3-methylbutylamino)methanol is sourced from PubChem (CID 139470244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).