1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

C19H23NO — CID 61027887

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H23NO/c1-13-9-14(2)11-17(10-13)19(20-3)16-6-7-18-15(12-16)5-4-8-21-18/h6-7,9-12,19-20H,4-5,8H2,1-3H3
InChIKeyOICHRFUDGFBFMQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.94
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 61027887) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID61027887
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H23NO/c1-13-9-14(2)11-17(10-13)19(20-3)16-6-7-18-15(12-16)5-4-8-21-18/h6-7,9-12,19-20H,4-5,8H2,1-3H3
InChIKeyOICHRFUDGFBFMQ-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 61027481
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 54908971
1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 61026466
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43482090
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854608
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985465
1-(3-bromo-2-fluorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107950500
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 61027887) is 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(C)c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is OICHRFUDGFBFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-9-14(2)11-17(10-13)19(20-3)16-6-7-18-15(12-16)5-4-8-21-18/h6-7,9-12,19-20H,4-5,8H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 61027887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).