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

C18H21NO2 — CID 115697977

IUPAC2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
SMILESCC1(C)CC(NCc2ccccc2O)c2ccccc2O1
InChIInChI=1S/C18H21NO2/c1-18(2)11-15(14-8-4-6-10-17(14)21-18)19-12-13-7-3-5-9-16(13)20/h3-10,15,19-20H,11-12H2,1-2H3
InChIKeyHJATYJQIIJIFPJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.78
Rot. Bonds3

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

2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol (PubChem CID 115697977) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
PubChem CID115697977
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
SMILESCC1(C)CC(NCc2ccccc2O)c2ccccc2O1
InChIInChI=1S/C18H21NO2/c1-18(2)11-15(14-8-4-6-10-17(14)21-18)19-12-13-7-3-5-9-16(13)20/h3-10,15,19-20H,11-12H2,1-2H3
InChIKeyHJATYJQIIJIFPJ-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]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

CP-100263
CID 9796216
CP-99994
CID 5311057
methyl N-(9H-xanthen-9-yl)carbamate
CID 602501
GUM1 compound
CID 3132840
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
2-{[(2-Methoxyphenyl)methyl]amino}-1-(3-methylphenyl)ethan-1-ol
CID 23647927
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-(3-iodophenyl)ethan-1-ol
CID 23647930
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-(3-methoxyphenyl)ethan-1-ol
CID 23647931
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-[3-(hydroxymethyl)phenyl]ethan-1-ol
CID 23647932
4-Phenylspiro[chromene-2,4''-piperidine]
CID 25129089
4-(p-Tolyl)spiro[chromene-2,4''-piperidine]
CID 25129090
4-(Spiro[chromene-2,4''-piperidine]-4-yl)phenol
CID 25129433

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol (CID 115697977) is 2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol is CC1(C)CC(NCc2ccccc2O)c2ccccc2O1.
What is the InChIKey of 2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol?
The InChIKey is HJATYJQIIJIFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2)11-15(14-8-4-6-10-17(14)21-18)19-12-13-7-3-5-9-16(13)20/h3-10,15,19-20H,11-12H2,1-2H3.
What are the key properties of 2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol?
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol is sourced from PubChem (CID 115697977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).