3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine

C17H19NO2 — CID 114744832

IUPAC3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc3c2OCCC3)c1
InChIInChI=1S/C17H19NO2/c1-19-14-8-2-6-13(11-14)16(18)15-9-3-5-12-7-4-10-20-17(12)15/h2-3,5-6,8-9,11,16H,4,7,10,18H2,1H3
InChIKeyGONGMQRNQVKCMK-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.07
Rot. Bonds3

About 3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine

3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine (PubChem CID 114744832) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
PubChem CID114744832
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc3c2OCCC3)c1
InChIInChI=1S/C17H19NO2/c1-19-14-8-2-6-13(11-14)16(18)15-9-3-5-12-7-4-10-20-17(12)15/h2-3,5-6,8-9,11,16H,4,7,10,18H2,1H3
InChIKeyGONGMQRNQVKCMK-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-8-yl(pyridin-3-yl)methanamine
CID 114744886
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049286
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
CID 114745442
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
CID 115837852
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine (CID 114744832) is 3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cccc3c2OCCC3)c1.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine?
The InChIKey is GONGMQRNQVKCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-14-8-2-6-13(11-14)16(18)15-9-3-5-12-7-4-10-20-17(12)15/h2-3,5-6,8-9,11,16H,4,7,10,18H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine?
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine has a molecular weight of 269.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 114744832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).