2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol

C17H18ClNO2 — CID 107678554

IUPAC2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol
SMILESCC1(C)CC(Nc2ccc(O)c(Cl)c2)c2ccccc2O1
InChIInChI=1S/C17H18ClNO2/c1-17(2)10-14(12-5-3-4-6-16(12)21-17)19-11-7-8-15(20)13(18)9-11/h3-9,14,19-20H,10H2,1-2H3
InChIKeyZPFGZPVXVPEVAD-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.76
Rot. Bonds2

About 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol

2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol (PubChem CID 107678554) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol
PubChem CID107678554
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol
SMILESCC1(C)CC(Nc2ccc(O)c(Cl)c2)c2ccccc2O1
InChIInChI=1S/C17H18ClNO2/c1-17(2)10-14(12-5-3-4-6-16(12)21-17)19-11-7-8-15(20)13(18)9-11/h3-9,14,19-20H,10H2,1-2H3
InChIKeyZPFGZPVXVPEVAD-UHFFFAOYSA-N
XLogP4.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-chlorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107619094
N-(3-bromo-4-chlorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81139547
N-(3-bromo-4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 104775890
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydrochromen-4-amine
CID 81139369
N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107631116
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine
CID 81142463
4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylphenol
CID 81140231
1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea
CID 94052781
5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133164751
2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine
CID 81141496
N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81139709

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol?
The IUPAC name of 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol (CID 107678554) is 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol.
What is the SMILES notation for 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol?
The canonical SMILES for 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol is CC1(C)CC(Nc2ccc(O)c(Cl)c2)c2ccccc2O1.
What is the InChIKey of 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol?
The InChIKey is ZPFGZPVXVPEVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(2)10-14(12-5-3-4-6-16(12)21-17)19-11-7-8-15(20)13(18)9-11/h3-9,14,19-20H,10H2,1-2H3.
What are the key properties of 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol?
2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol has a molecular weight of 303.79 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]phenol is sourced from PubChem (CID 107678554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).