(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

C16H16ClNO — CID 114745207

IUPAC(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1ccccc1Cl)c1cccc2c1OCCC2
InChIInChI=1S/C16H16ClNO/c17-14-9-2-1-7-12(14)15(18)13-8-3-5-11-6-4-10-19-16(11)13/h1-3,5,7-9,15H,4,6,10,18H2
InChIKeyKARGWUPETKCVHD-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.71
Rot. Bonds2

About (2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 114745207) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID114745207
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1ccccc1Cl)c1cccc2c1OCCC2
InChIInChI=1S/C16H16ClNO/c17-14-9-2-1-7-12(14)15(18)13-8-3-5-11-6-4-10-19-16(11)13/h1-3,5,7-9,15H,4,6,10,18H2
InChIKeyKARGWUPETKCVHD-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
(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
(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745822
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743779
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
CID 114745984
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
3,4-dihydro-2H-chromen-8-yl(pyridin-3-yl)methanamine
CID 114744886

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of (2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 114745207) is (2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is NC(c1ccccc1Cl)c1cccc2c1OCCC2.
What is the InChIKey of (2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is KARGWUPETKCVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-9-2-1-7-12(14)15(18)13-8-3-5-11-6-4-10-19-16(11)13/h1-3,5,7-9,15H,4,6,10,18H2.
What are the key properties of (2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 273.76 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 114745207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).