2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol

C18H24N2O — CID 43676976

IUPAC2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol
SMILESCCC(Nc1ccc(N(C)C)cc1C)c1ccccc1O
InChIInChI=1S/C18H24N2O/c1-5-16(15-8-6-7-9-18(15)21)19-17-11-10-14(20(3)4)12-13(17)2/h6-12,16,19,21H,5H2,1-4H3
InChIKeyZRBQZQTYMNINRA-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.33
Rot. Bonds5

About 2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol

2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol (PubChem CID 43676976) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol
PubChem CID43676976
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol
SMILESCCC(Nc1ccc(N(C)C)cc1C)c1ccccc1O
InChIInChI=1S/C18H24N2O/c1-5-16(15-8-6-7-9-18(15)21)19-17-11-10-14(20(3)4)12-13(17)2/h6-12,16,19,21H,5H2,1-4H3
InChIKeyZRBQZQTYMNINRA-UHFFFAOYSA-N
XLogP4.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(dimethylamino)anilino]propyl]phenol
CID 115376440
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
CID 106953694
4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine
CID 43779641
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748
2-[1-(3,4-dimethylanilino)propyl]phenol
CID 43194157
2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
CID 43676965
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
2-[1-[[4-(dimethylamino)-3-pyridinyl]amino]propyl]phenol
CID 43678570
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115938501
2-[1-(4-bromo-2-fluoroanilino)propyl]phenol
CID 43192631
2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
CID 43150463
2-[1-(3-chloro-2-methylanilino)propyl]phenol
CID 43101368

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol?
The IUPAC name of 2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol (CID 43676976) is 2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol.
What is the SMILES notation for 2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol?
The canonical SMILES for 2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol is CCC(Nc1ccc(N(C)C)cc1C)c1ccccc1O.
What is the InChIKey of 2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol?
The InChIKey is ZRBQZQTYMNINRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-16(15-8-6-7-9-18(15)21)19-17-11-10-14(20(3)4)12-13(17)2/h6-12,16,19,21H,5H2,1-4H3.
What are the key properties of 2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol?
2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol has a molecular weight of 284.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol is sourced from PubChem (CID 43676976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).