4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol

C19H26N2O — CID 146507436

IUPAC4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol
SMILESCc1cc(C)c(N(CCCCO)c2cccc(N)c2)c(C)c1
InChIInChI=1S/C19H26N2O/c1-14-11-15(2)19(16(3)12-14)21(9-4-5-10-22)18-8-6-7-17(20)13-18/h6-8,11-13,22H,4-5,9-10,20H2,1-3H3
InChIKeyGURYRTRWGITHFI-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.10
Rot. Bonds6

About 4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol

4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol (PubChem CID 146507436) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol.

Molecular Properties

Compound Name4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol
PubChem CID146507436
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol
SMILESCc1cc(C)c(N(CCCCO)c2cccc(N)c2)c(C)c1
InChIInChI=1S/C19H26N2O/c1-14-11-15(2)19(16(3)12-14)21(9-4-5-10-22)18-8-6-7-17(20)13-18/h6-8,11-13,22H,4-5,9-10,20H2,1-3H3
InChIKeyGURYRTRWGITHFI-UHFFFAOYSA-N
XLogP4.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[N-(4-hydroxybutyl)-2,4,6-trimethylanilino]phenol
CID 146507702
2-(N-(3-aminophenyl)anilino)ethanol
CID 150629525
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
3-N-(2-methoxy-4,6-dimethylphenyl)-3-N-methylbenzene-1,3-diamine
CID 117040924
3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide
CID 110935979
3-N-[2-(2,4-dimethylphenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041004
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
CID 107198256
5-[4-amino-N-(4-hydroxybutyl)-3-methylanilino]pentan-1-ol
CID 18004351
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
CID 115217664
ethyl 2-(3-amino-N-propylanilino)pentanoate
CID 83041055

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol?
The IUPAC name of 4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol (CID 146507436) is 4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol.
What is the SMILES notation for 4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol?
The canonical SMILES for 4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol is Cc1cc(C)c(N(CCCCO)c2cccc(N)c2)c(C)c1.
What is the InChIKey of 4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol?
The InChIKey is GURYRTRWGITHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14-11-15(2)19(16(3)12-14)21(9-4-5-10-22)18-8-6-7-17(20)13-18/h6-8,11-13,22H,4-5,9-10,20H2,1-3H3.
What are the key properties of 4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol?
4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol has a molecular weight of 298.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-N-(2,4,6-trimethylphenyl)anilino)butan-1-ol is sourced from PubChem (CID 146507436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).