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

C16H16ClNO — CID 65411666

IUPAC(3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
SMILESNC(c1cccc(Cl)c1)C1COc2ccccc2C1
InChIInChI=1S/C16H16ClNO/c17-14-6-3-5-12(9-14)16(18)13-8-11-4-1-2-7-15(11)19-10-13/h1-7,9,13,16H,8,10,18H2
InChIKeyGYLZLOOGDMBAPC-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.59
Rot. Bonds2

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

(3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine (PubChem CID 65411666) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
PubChem CID65411666
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
SMILESNC(c1cccc(Cl)c1)C1COc2ccccc2C1
InChIInChI=1S/C16H16ClNO/c17-14-6-3-5-12(9-14)16(18)13-8-11-4-1-2-7-15(11)19-10-13/h1-7,9,13,16H,8,10,18H2
InChIKeyGYLZLOOGDMBAPC-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 166045392
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860
[(2,5-dichlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233991
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 79601515
3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine
CID 65411469
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409900
3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
CID 65412330
3,4-dihydro-2H-chromen-3-yl(pyridin-3-yl)methanol
CID 65412130
[(3,5-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105234024
N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45244633

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The IUPAC name of (3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine (CID 65411666) is (3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine is NC(c1cccc(Cl)c1)C1COc2ccccc2C1.
What is the InChIKey of (3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The InChIKey is GYLZLOOGDMBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-6-3-5-12(9-14)16(18)13-8-11-4-1-2-7-15(11)19-10-13/h1-7,9,13,16H,8,10,18H2.
What are the key properties of (3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
(3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine has a molecular weight of 273.76 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine is sourced from PubChem (CID 65411666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).