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

C17H17BrClNO — CID 61026466

IUPAC1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCCO2)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H17BrClNO/c1-20-17(14-10-13(18)5-6-15(14)19)12-4-7-16-11(9-12)3-2-8-21-16/h4-7,9-10,17,20H,2-3,8H2,1H3
InChIKeyYMIXMMWEGCCAAU-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.74
Rot. Bonds3

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

1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine (PubChem CID 61026466) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
PubChem CID61026466
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCCO2)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H17BrClNO/c1-20-17(14-10-13(18)5-6-15(14)19)12-4-7-16-11(9-12)3-2-8-21-16/h4-7,9-10,17,20H,2-3,8H2,1H3
InChIKeyYMIXMMWEGCCAAU-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483271
1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
1-(2,5-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62200884
1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62200882
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503
1-(3-bromo-2-fluorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107950500
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
1-(5-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 54908971
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 61027887
1-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482575
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 61027481
1-[2-chloro-4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 82775201

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine (CID 61026466) is 1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)CCCO2)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine?
The InChIKey is YMIXMMWEGCCAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-20-17(14-10-13(18)5-6-15(14)19)12-4-7-16-11(9-12)3-2-8-21-16/h4-7,9-10,17,20H,2-3,8H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine?
1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine has a molecular weight of 366.69 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine is sourced from PubChem (CID 61026466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).