(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine

C18H21FN2O — CID 124743503

IUPAC(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESC[C@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccncc1F
InChIInChI=1S/C18H21FN2O/c1-12(13-8-9-20-11-15(13)19)21-16-10-18(2,3)22-17-7-5-4-6-14(16)17/h4-9,11-12,16,21H,10H2,1-3H3/t12-,16+/m0/s1
InChIKeyYWYYVRORTUXFDG-BLLLJJGKSA-N
MW300.38 g/mol
LogP4.17
Rot. Bonds3

About (4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine

(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 124743503) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is (4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID124743503
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESC[C@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccncc1F
InChIInChI=1S/C18H21FN2O/c1-12(13-8-9-20-11-15(13)19)21-16-10-18(2,3)22-17-7-5-4-6-14(16)17/h4-9,11-12,16,21H,10H2,1-3H3/t12-,16+/m0/s1
InChIKeyYWYYVRORTUXFDG-BLLLJJGKSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 124743503) is (4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine is C[C@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccncc1F.
What is the InChIKey of (4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is YWYYVRORTUXFDG-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-12(13-8-9-20-11-15(13)19)21-16-10-18(2,3)22-17-7-5-4-6-14(16)17/h4-9,11-12,16,21H,10H2,1-3H3/t12-,16+/m0/s1.
What are the key properties of (4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 300.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 124743503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).