(4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride

C16H16ClNO — CID 122621323

IUPAC(4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride
SMILESCl.NCC1=C(c2ccccc2)c2ccccc2OC1
InChIInChI=1S/C16H15NO.ClH/c17-10-13-11-18-15-9-5-4-8-14(15)16(13)12-6-2-1-3-7-12;/h1-9H,10-11,17H2;1H
InChIKeyASHZPUAIZIWPRM-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.26
Rot. Bonds2

About (4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride

(4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride (PubChem CID 122621323) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride
PubChem CID122621323
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride
SMILESCl.NCC1=C(c2ccccc2)c2ccccc2OC1
InChIInChI=1S/C16H15NO.ClH/c17-10-13-11-18-15-9-5-4-8-14(15)16(13)12-6-2-1-3-7-12;/h1-9H,10-11,17H2;1H
InChIKeyASHZPUAIZIWPRM-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2,6-diphenylphenyl)methanamine
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10-[4-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-6H-benzo[c]chromene
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(6-fluoro-4-methyl-2H-chromen-3-yl)methanamine
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CID 81463271

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride?
The IUPAC name of (4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride (CID 122621323) is (4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride is Cl.NCC1=C(c2ccccc2)c2ccccc2OC1.
What is the InChIKey of (4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride?
The InChIKey is ASHZPUAIZIWPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO.ClH/c17-10-13-11-18-15-9-5-4-8-14(15)16(13)12-6-2-1-3-7-12;/h1-9H,10-11,17H2;1H.
What are the key properties of (4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride?
(4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-2H-chromen-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 122621323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).