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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Related Compounds

2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004659
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-cyclopropylpyrrolidin-3-amine
CID 107336794
1-[4-[4-(4-fluorophenyl)-1,6,7-trimethyl-7λ3-ioda-2,5-dithiabicyclo[4.1.0]hept-3-en-3-yl]phenyl]-4-methoxypiperidine
CID 142113302
N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 99874395
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide
CID 168651911
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 125447400
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
ethyl 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]piperidine-1-carboxylate
CID 71921314

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).