6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol

C31H41NO2 — CID 20580260

IUPAC6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
SMILESCc1ccc(N(c2ccc(CCCCCCO)cc2)c2ccc(CCCCCCO)cc2)cc1
InChIInChI=1S/C31H41NO2/c1-26-12-18-29(19-13-26)32(30-20-14-27(15-21-30)10-6-2-4-8-24-33)31-22-16-28(17-23-31)11-7-3-5-9-25-34/h12-23,33-34H,2-11,24-25H2,1H3
InChIKeyODZVPQRGUHMCPN-UHFFFAOYSA-N
MW459.67 g/mol
LogP7.66
Rot. Bonds15

About 6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol

6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol (PubChem CID 20580260) has the molecular formula C31H41NO2 and a molecular weight of 459.67 g/mol. Its IUPAC name is 6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
PubChem CID20580260
Molecular FormulaC31H41NO2
Molecular Weight459.67 g/mol
Exact Mass459.31
IUPAC Name6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
SMILESCc1ccc(N(c2ccc(CCCCCCO)cc2)c2ccc(CCCCCCO)cc2)cc1
InChIInChI=1S/C31H41NO2/c1-26-12-18-29(19-13-26)32(30-20-14-27(15-21-30)10-6-2-4-8-24-33)31-22-16-28(17-23-31)11-7-3-5-9-25-34/h12-23,33-34H,2-11,24-25H2,1H3
InChIKeyODZVPQRGUHMCPN-UHFFFAOYSA-N
XLogP7.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.67
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
CID 67358855
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
8-[4-(diethylamino)phenyl]octan-1-ol
CID 163869246
4-(4-methylphenyl)butan-1-ol;toluene
CID 70134596
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
6-[[4-(N-[4-[4-(N-[4-(6-hydroxyhexoxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methoxy]hexan-1-ol
CID 68881964
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580118
1-methyl-4-octylbenzene
CID 11052746
4-(4-propylphenyl)butan-1-ol
CID 10511962
2-[4-[4-(2-hydroxyethyl)-N-[4-(2-hydroxyethyl)phenyl]anilino]phenyl]ethanol
CID 20580135

Frequently Asked Questions

What is the IUPAC name of 6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol?
The IUPAC name of 6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol (CID 20580260) is 6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol.
What is the SMILES notation for 6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol?
The canonical SMILES for 6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol is Cc1ccc(N(c2ccc(CCCCCCO)cc2)c2ccc(CCCCCCO)cc2)cc1.
What is the InChIKey of 6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol?
The InChIKey is ODZVPQRGUHMCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41NO2/c1-26-12-18-29(19-13-26)32(30-20-14-27(15-21-30)10-6-2-4-8-24-33)31-22-16-28(17-23-31)11-7-3-5-9-25-34/h12-23,33-34H,2-11,24-25H2,1H3.
What are the key properties of 6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol?
6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol has a molecular weight of 459.67 g/mol, XLogP of 7.66, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol is sourced from PubChem (CID 20580260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).