2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol

C17H19NO3 — CID 43723819

IUPAC2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNC2CCOc3ccccc32)c1
InChIInChI=1S/C17H19NO3/c1-20-13-6-7-16(19)12(10-13)11-18-15-8-9-21-17-5-3-2-4-14(15)17/h2-7,10,15,18-19H,8-9,11H2,1H3
InChIKeySCHWYZCDAPZPLK-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.01
Rot. Bonds4

About 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol

2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol (PubChem CID 43723819) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol
PubChem CID43723819
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNC2CCOc3ccccc32)c1
InChIInChI=1S/C17H19NO3/c1-20-13-6-7-16(19)12(10-13)11-18-15-8-9-21-17-5-3-2-4-14(15)17/h2-7,10,15,18-19H,8-9,11H2,1H3
InChIKeySCHWYZCDAPZPLK-UHFFFAOYSA-N
XLogP3.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461749
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378994
4-methoxy-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]phenol
CID 62842347
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 47008214
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
CID 79831854
4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol
CID 63378435
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 56827821
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol (CID 43723819) is 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNC2CCOc3ccccc32)c1.
What is the InChIKey of 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol?
The InChIKey is SCHWYZCDAPZPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-13-6-7-16(19)12(10-13)11-18-15-8-9-21-17-5-3-2-4-14(15)17/h2-7,10,15,18-19H,8-9,11H2,1H3.
What are the key properties of 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol?
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol has a molecular weight of 285.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol is sourced from PubChem (CID 43723819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).