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

C16H16BrNO — CID 114744841

IUPAC(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C16H16BrNO/c17-13-8-6-11(7-9-13)15(18)14-5-1-3-12-4-2-10-19-16(12)14/h1,3,5-9,15H,2,4,10,18H2
InChIKeyIPPMPRJSQBDJNT-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.82
Rot. Bonds2

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

(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 114744841) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is (4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID114744841
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C16H16BrNO/c17-13-8-6-11(7-9-13)15(18)14-5-1-3-12-4-2-10-19-16(12)14/h1,3,5-9,15H,2,4,10,18H2
InChIKeyIPPMPRJSQBDJNT-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279
(4-bromo-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049185
(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049286
3,4-dihydro-2H-chromen-8-yl(pyridin-3-yl)methanamine
CID 114744886
N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of (4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 114744841) is (4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for (4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is NC(c1ccc(Br)cc1)c1cccc2c1OCCC2.
What is the InChIKey of (4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is IPPMPRJSQBDJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-13-8-6-11(7-9-13)15(18)14-5-1-3-12-4-2-10-19-16(12)14/h1,3,5-9,15H,2,4,10,18H2.
What are the key properties of (4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 318.21 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 114744841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).