(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

C18H18FNO — CID 104947762

IUPAC(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ccc(C3CC3)cc2)Oc2cc(F)ccc21
InChIInChI=1S/C18H18FNO/c19-14-7-8-15-16(20)10-17(21-18(15)9-14)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,16-17H,1-2,10,20H2/t16-,17?/m0/s1
InChIKeyJFUKQJBCBJKMAG-BHWOMJMDSA-N
MW283.35 g/mol
LogP4.23
Rot. Bonds2

About (4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947762) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947762
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ccc(C3CC3)cc2)Oc2cc(F)ccc21
InChIInChI=1S/C18H18FNO/c19-14-7-8-15-16(20)10-17(21-18(15)9-14)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,16-17H,1-2,10,20H2/t16-,17?/m0/s1
InChIKeyJFUKQJBCBJKMAG-BHWOMJMDSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710334
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947651
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947604
(4R)-6-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947539
(4R)-2-(2,3-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947901

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 104947762) is (4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(c2ccc(C3CC3)cc2)Oc2cc(F)ccc21.
What is the InChIKey of (4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JFUKQJBCBJKMAG-BHWOMJMDSA-N. The full InChI is InChI=1S/C18H18FNO/c19-14-7-8-15-16(20)10-17(21-18(15)9-14)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,16-17H,1-2,10,20H2/t16-,17?/m0/s1.
What are the key properties of (4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.35 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).