(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine

C16H15Cl2NO — CID 61026960

IUPAC(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNC(c1ccc2c(c1)CCCO2)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2NO/c17-13-5-1-4-12(15(13)18)16(19)11-6-7-14-10(9-11)3-2-8-20-14/h1,4-7,9,16H,2-3,8,19H2
InChIKeyYPFGEKIZTLXDSL-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.37
Rot. Bonds2

About (2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine

(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine (PubChem CID 61026960) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
PubChem CID61026960
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNC(c1ccc2c(c1)CCCO2)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2NO/c17-13-5-1-4-12(15(13)18)16(19)11-6-7-14-10(9-11)3-2-8-20-14/h1,4-7,9,16H,2-3,8,19H2
InChIKeyYPFGEKIZTLXDSL-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430264
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 62275925
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
CID 79693199
(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027758
(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027221
(4-bromo-2-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026459
7-[chloro-(2,3-dichlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63429460
(4-bromo-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049185
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine (CID 61026960) is (2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine is NC(c1ccc2c(c1)CCCO2)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The InChIKey is YPFGEKIZTLXDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-13-5-1-4-12(15(13)18)16(19)11-6-7-14-10(9-11)3-2-8-20-14/h1,4-7,9,16H,2-3,8,19H2.
What are the key properties of (2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine has a molecular weight of 308.21 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine is sourced from PubChem (CID 61026960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).