1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine

C17H18ClNO — CID 114745209

IUPAC1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1cccc2c1OCCC2
InChIInChI=1S/C17H18ClNO/c1-19-16(13-8-2-3-10-15(13)18)14-9-4-6-12-7-5-11-20-17(12)14/h2-4,6,8-10,16,19H,5,7,11H2,1H3
InChIKeyYXXWKNYWSGURNM-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.97
Rot. Bonds3

About 1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine

1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine (PubChem CID 114745209) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
PubChem CID114745209
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1cccc2c1OCCC2
InChIInChI=1S/C17H18ClNO/c1-19-16(13-8-2-3-10-15(13)18)14-9-4-6-12-7-5-11-20-17(12)14/h2-4,6,8-10,16,19H,5,7,11H2,1H3
InChIKeyYXXWKNYWSGURNM-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049025
1-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylmethanamine
CID 105099430
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
1-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049275
1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049062
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049004
1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745408
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374331
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187282

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine (CID 114745209) is 1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine is CNC(c1ccccc1Cl)c1cccc2c1OCCC2.
What is the InChIKey of 1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The InChIKey is YXXWKNYWSGURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-19-16(13-8-2-3-10-15(13)18)14-9-4-6-12-7-5-11-20-17(12)14/h2-4,6,8-10,16,19H,5,7,11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine has a molecular weight of 287.79 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine is sourced from PubChem (CID 114745209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).