2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol

C14H18Cl2N2O — CID 107679322

IUPAC2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
SMILESCC1CC(Nc2cc(Cl)c(O)c(Cl)c2)CN1C1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-8-4-10(7-18(8)11-2-3-11)17-9-5-12(15)14(19)13(16)6-9/h5-6,8,10-11,17,19H,2-4,7H2,1H3
InChIKeyGAVHYBSAQOMFIC-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.74
Rot. Bonds3

About 2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol

2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol (PubChem CID 107679322) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
PubChem CID107679322
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
SMILESCC1CC(Nc2cc(Cl)c(O)c(Cl)c2)CN1C1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-8-4-10(7-18(8)11-2-3-11)17-9-5-12(15)14(19)13(16)6-9/h5-6,8,10-11,17,19H,2-4,7H2,1H3
InChIKeyGAVHYBSAQOMFIC-UHFFFAOYSA-N
XLogP3.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107678571
2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol
CID 107678851
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
2,6-dichloro-4-(cyclobutylamino)phenol
CID 107679292
1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine
CID 115871605
1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine
CID 107334651
2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol
CID 107679381
2-chloro-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-5-methylpyridin-3-amine
CID 114050843
3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
CID 115997321
1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871623
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol?
The IUPAC name of 2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol (CID 107679322) is 2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol is CC1CC(Nc2cc(Cl)c(O)c(Cl)c2)CN1C1CC1.
What is the InChIKey of 2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol?
The InChIKey is GAVHYBSAQOMFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-8-4-10(7-18(8)11-2-3-11)17-9-5-12(15)14(19)13(16)6-9/h5-6,8,10-11,17,19H,2-4,7H2,1H3.
What are the key properties of 2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol?
2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol has a molecular weight of 301.22 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol is sourced from PubChem (CID 107679322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).