2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine

C14H18F2N2 — CID 125478018

IUPAC2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine
SMILESNCCN1CC[C@@H]([C@H]2CC2(F)F)c2ccccc21
InChIInChI=1S/C14H18F2N2/c15-14(16)9-12(14)10-5-7-18(8-6-17)13-4-2-1-3-11(10)13/h1-4,10,12H,5-9,17H2/t10-,12-/m1/s1
InChIKeyFQZPASWXGVJOKG-ZYHUDNBSSA-N
MW252.31 g/mol
LogP2.59
Rot. Bonds3

About 2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine

2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine (PubChem CID 125478018) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine
PubChem CID125478018
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine
SMILESNCCN1CC[C@@H]([C@H]2CC2(F)F)c2ccccc21
InChIInChI=1S/C14H18F2N2/c15-14(16)9-12(14)10-5-7-18(8-6-17)13-4-2-1-3-11(10)13/h1-4,10,12H,5-9,17H2/t10-,12-/m1/s1
InChIKeyFQZPASWXGVJOKG-ZYHUDNBSSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine?
The IUPAC name of 2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine (CID 125478018) is 2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine.
What is the SMILES notation for 2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine?
The canonical SMILES for 2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine is NCCN1CC[C@@H]([C@H]2CC2(F)F)c2ccccc21.
What is the InChIKey of 2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine?
The InChIKey is FQZPASWXGVJOKG-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H18F2N2/c15-14(16)9-12(14)10-5-7-18(8-6-17)13-4-2-1-3-11(10)13/h1-4,10,12H,5-9,17H2/t10-,12-/m1/s1.
What are the key properties of 2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine?
2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine has a molecular weight of 252.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[(1R)-2,2-difluorocyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanamine is sourced from PubChem (CID 125478018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).