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

C17H17Cl2NO — CID 63710100

IUPAC1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H17Cl2NO/c1-20-17(14-10-11(18)6-7-15(14)19)13-8-9-21-16-5-3-2-4-12(13)16/h2-7,10,13,17,20H,8-9H2,1H3
InChIKeyOGDUUIQQERTNJY-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.82
Rot. Bonds3

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

1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine (PubChem CID 63710100) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
PubChem CID63710100
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H17Cl2NO/c1-20-17(14-10-11(18)6-7-15(14)19)13-8-9-21-16-5-3-2-4-12(13)16/h2-7,10,13,17,20H,8-9H2,1H3
InChIKeyOGDUUIQQERTNJY-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dichlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43723835
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 114655760
1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 79723538
1-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409875
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65411645
1-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 65412626
1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 102827282
1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424192
4-[bromo-(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63710823
1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine
CID 79179277
(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709739
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methyl]ethanamine
CID 80529022

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine (CID 63710100) is 1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine is CNC(c1cc(Cl)ccc1Cl)C1CCOc2ccccc21.
What is the InChIKey of 1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The InChIKey is OGDUUIQQERTNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-20-17(14-10-11(18)6-7-15(14)19)13-8-9-21-16-5-3-2-4-12(13)16/h2-7,10,13,17,20H,8-9H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine has a molecular weight of 322.24 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine is sourced from PubChem (CID 63710100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).