1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine

C17H25FN2O — CID 165427714

IUPAC1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine
SMILESCOC1CCC(NC2CCN(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H25FN2O/c1-21-17-8-4-14(5-9-17)19-15-10-11-20(12-15)16-6-2-13(18)3-7-16/h2-3,6-7,14-15,17,19H,4-5,8-12H2,1H3
InChIKeyPWONLSVSWHVUQS-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine

1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine (PubChem CID 165427714) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine
PubChem CID165427714
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine
SMILESCOC1CCC(NC2CCN(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H25FN2O/c1-21-17-8-4-14(5-9-17)19-15-10-11-20(12-15)16-6-2-13(18)3-7-16/h2-3,6-7,14-15,17,19H,4-5,8-12H2,1H3
InChIKeyPWONLSVSWHVUQS-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine (CID 165427714) is 1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine is COC1CCC(NC2CCN(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine?
The InChIKey is PWONLSVSWHVUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-17-8-4-14(5-9-17)19-15-10-11-20(12-15)16-6-2-13(18)3-7-16/h2-3,6-7,14-15,17,19H,4-5,8-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine?
1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine has a molecular weight of 292.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-methoxycyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 165427714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).