2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol

C14H19ClN2O — CID 107678571

IUPAC2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
SMILESCC1CC(Nc2ccc(O)c(Cl)c2)CN1C1CC1
InChIInChI=1S/C14H19ClN2O/c1-9-6-11(8-17(9)12-3-4-12)16-10-2-5-14(18)13(15)7-10/h2,5,7,9,11-12,16,18H,3-4,6,8H2,1H3
InChIKeyVNJOMCUDURLZSL-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.08
Rot. Bonds3

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

2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol (PubChem CID 107678571) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
PubChem CID107678571
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
SMILESCC1CC(Nc2ccc(O)c(Cl)c2)CN1C1CC1
InChIInChI=1S/C14H19ClN2O/c1-9-6-11(8-17(9)12-3-4-12)16-10-2-5-14(18)13(15)7-10/h2,5,7,9,11-12,16,18H,3-4,6,8H2,1H3
InChIKeyVNJOMCUDURLZSL-UHFFFAOYSA-N
XLogP3.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.08
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

2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107679322
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine
CID 115871605
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482
1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871623
1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871509
3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
CID 115997321
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526
2-chloro-4-[(2-methylcyclopentyl)amino]phenol
CID 107678036
1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 115871514
2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol
CID 107678521
(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine
CID 97330985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol?
The IUPAC name of 2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol (CID 107678571) is 2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol.
What is the SMILES notation for 2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol?
The canonical SMILES for 2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol is CC1CC(Nc2ccc(O)c(Cl)c2)CN1C1CC1.
What is the InChIKey of 2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol?
The InChIKey is VNJOMCUDURLZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-6-11(8-17(9)12-3-4-12)16-10-2-5-14(18)13(15)7-10/h2,5,7,9,11-12,16,18H,3-4,6,8H2,1H3.
What are the key properties of 2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol?
2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol has a molecular weight of 266.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol is sourced from PubChem (CID 107678571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).