1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine

C18H21NO2 — CID 61026713

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C18H21NO2/c1-20-16-7-4-13(5-8-16)11-17(19)14-6-9-18-15(12-14)3-2-10-21-18/h4-9,12,17H,2-3,10-11,19H2,1H3
InChIKeyCZXFEJQPXNPSMI-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.26
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine

1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 61026713) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
PubChem CID61026713
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C18H21NO2/c1-20-16-7-4-13(5-8-16)11-17(19)14-6-9-18-15(12-14)3-2-10-21-18/h4-9,12,17H,2-3,10-11,19H2,1H3
InChIKeyCZXFEJQPXNPSMI-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenyl)ethanamine
CID 62199762
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 61080781
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride
CID 51056094
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine (CID 61026713) is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is CZXFEJQPXNPSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-16-7-4-13(5-8-16)11-17(19)14-6-9-18-15(12-14)3-2-10-21-18/h4-9,12,17H,2-3,10-11,19H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine?
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 61026713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).