1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine

C17H17ClFNO — CID 114886029

IUPAC1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESNC(CC1CCOc2ccccc21)c1cc(Cl)ccc1F
InChIInChI=1S/C17H17ClFNO/c18-12-5-6-15(19)14(10-12)16(20)9-11-7-8-21-17-4-2-1-3-13(11)17/h1-6,10-11,16H,7-9,20H2
InChIKeyPJQKRJINMIQGCH-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.44
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine

1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine (PubChem CID 114886029) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
PubChem CID114886029
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESNC(CC1CCOc2ccccc21)c1cc(Cl)ccc1F
InChIInChI=1S/C17H17ClFNO/c18-12-5-6-15(19)14(10-12)16(20)9-11-7-8-21-17-4-2-1-3-13(11)17/h1-6,10-11,16H,7-9,20H2
InChIKeyPJQKRJINMIQGCH-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034300
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 105034258
1-(2,5-dibromothiophen-3-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 107969001
1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
CID 104770108
1-(3-bromo-4-chlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 104770573
4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine
CID 104772612
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
CID 104770116
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034368
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine (CID 114886029) is 1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine is NC(CC1CCOc2ccccc21)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
The InChIKey is PJQKRJINMIQGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c18-12-5-6-15(19)14(10-12)16(20)9-11-7-8-21-17-4-2-1-3-13(11)17/h1-6,10-11,16H,7-9,20H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine has a molecular weight of 305.78 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine is sourced from PubChem (CID 114886029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).