(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C13H19FN2 — CID 106638924

IUPAC(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESC[C@H](NCC1CCCN1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2/c1-10(11-4-2-5-12(14)8-11)16-9-13-6-3-7-15-13/h2,4-5,8,10,13,15-16H,3,6-7,9H2,1H3/t10-,13?/m0/s1
InChIKeyARICLCQGZDSLTI-NKUHCKNESA-N
MW222.31 g/mol
LogP2.23
Rot. Bonds4

About (1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106638924) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106638924
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESC[C@H](NCC1CCCN1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2/c1-10(11-4-2-5-12(14)8-11)16-9-13-6-3-7-15-13/h2,4-5,8,10,13,15-16H,3,6-7,9H2,1H3/t10-,13?/m0/s1
InChIKeyARICLCQGZDSLTI-NKUHCKNESA-N
XLogP2.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591
N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
CID 106636742
1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637049
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906804
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 71637827

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106638924) is (1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is C[C@H](NCC1CCCN1)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is ARICLCQGZDSLTI-NKUHCKNESA-N. The full InChI is InChI=1S/C13H19FN2/c1-10(11-4-2-5-12(14)8-11)16-9-13-6-3-7-15-13/h2,4-5,8,10,13,15-16H,3,6-7,9H2,1H3/t10-,13?/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106638924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).