4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol

C23H24FNO — CID 143944041

IUPAC4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol
SMILESCC(NC1CC[C@H](c2ccc(O)cc2)C1)c1ccc(F)c2ccccc12
InChIInChI=1S/C23H24FNO/c1-15(20-12-13-23(24)22-5-3-2-4-21(20)22)25-18-9-6-17(14-18)16-7-10-19(26)11-8-16/h2-5,7-8,10-13,15,17-18,25-26H,6,9,14H2,1H3/t15?,17-,18?/m0/s1
InChIKeyQSZQXWSFXOHGJU-NXYGQSRBSA-N
MW349.45 g/mol
LogP5.67
Rot. Bonds4

About 4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol

4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol (PubChem CID 143944041) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol.

Molecular Properties

Compound Name4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol
PubChem CID143944041
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC Name4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol
SMILESCC(NC1CC[C@H](c2ccc(O)cc2)C1)c1ccc(F)c2ccccc12
InChIInChI=1S/C23H24FNO/c1-15(20-12-13-23(24)22-5-3-2-4-21(20)22)25-18-9-6-17(14-18)16-7-10-19(26)11-8-16/h2-5,7-8,10-13,15,17-18,25-26H,6,9,14H2,1H3/t15?,17-,18?/m0/s1
InChIKeyQSZQXWSFXOHGJU-NXYGQSRBSA-N
XLogP5.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol?
The IUPAC name of 4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol (CID 143944041) is 4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol.
What is the SMILES notation for 4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol?
The canonical SMILES for 4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol is CC(NC1CC[C@H](c2ccc(O)cc2)C1)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol?
The InChIKey is QSZQXWSFXOHGJU-NXYGQSRBSA-N. The full InChI is InChI=1S/C23H24FNO/c1-15(20-12-13-23(24)22-5-3-2-4-21(20)22)25-18-9-6-17(14-18)16-7-10-19(26)11-8-16/h2-5,7-8,10-13,15,17-18,25-26H,6,9,14H2,1H3/t15?,17-,18?/m0/s1.
What are the key properties of 4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol?
4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol has a molecular weight of 349.45 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenol is sourced from PubChem (CID 143944041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).