1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol

C23H25NO4 — CID 71095103

IUPAC1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol
SMILESCc1ccc(N(c2ccc(OC(C)O)cc2)c2ccc(OC(C)O)cc2)cc1
InChIInChI=1S/C23H25NO4/c1-16-4-6-19(7-5-16)24(20-8-12-22(13-9-20)27-17(2)25)21-10-14-23(15-11-21)28-18(3)26/h4-15,17-18,25-26H,1-3H3
InChIKeySYPNSYWTBXXGRN-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.90
Rot. Bonds7

About 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol

1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol (PubChem CID 71095103) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol.

Molecular Properties

Compound Name1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol
PubChem CID71095103
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol
SMILESCc1ccc(N(c2ccc(OC(C)O)cc2)c2ccc(OC(C)O)cc2)cc1
InChIInChI=1S/C23H25NO4/c1-16-4-6-19(7-5-16)24(20-8-12-22(13-9-20)27-17(2)25)21-10-14-23(15-11-21)28-18(3)26/h4-15,17-18,25-26H,1-3H3
InChIKeySYPNSYWTBXXGRN-UHFFFAOYSA-N
XLogP4.90
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol
CID 71095161
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-phenylanilino)phenoxy]ethanol
CID 71095144
1-[4-[4-[4-[4-(1-hydroxyethoxy)-N-(3-methylphenyl)anilino]phenyl]-N-(3-methylphenyl)anilino]phenoxy]ethanol
CID 71095176
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 54118518
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
1-[4-(4-methoxyphenyl)phenoxy]ethanol
CID 19939691
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
3-[4-[N-[4-(2,3-dihydroxypropoxy)phenyl]-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenoxy]propane-1,2-diol
CID 58892559
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol
CID 18791858

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol?
The IUPAC name of 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol (CID 71095103) is 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol.
What is the SMILES notation for 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol?
The canonical SMILES for 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol is Cc1ccc(N(c2ccc(OC(C)O)cc2)c2ccc(OC(C)O)cc2)cc1.
What is the InChIKey of 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol?
The InChIKey is SYPNSYWTBXXGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-16-4-6-19(7-5-16)24(20-8-12-22(13-9-20)27-17(2)25)21-10-14-23(15-11-21)28-18(3)26/h4-15,17-18,25-26H,1-3H3.
What are the key properties of 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol?
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol has a molecular weight of 379.46 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol is sourced from PubChem (CID 71095103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).