1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine

C15H23FN2 — CID 143151495

IUPAC1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine
SMILESC[C@@H]1CCCN1CCC(N)Cc1ccccc1F
InChIInChI=1S/C15H23FN2/c1-12-5-4-9-18(12)10-8-14(17)11-13-6-2-3-7-15(13)16/h2-3,6-7,12,14H,4-5,8-11,17H2,1H3/t12-,14?/m1/s1
InChIKeyHOLVYYHQSGMDDA-PUODRLBUSA-N
MW250.36 g/mol
LogP2.57
Rot. Bonds5

About 1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine

1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine (PubChem CID 143151495) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine
PubChem CID143151495
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine
SMILESC[C@@H]1CCCN1CCC(N)Cc1ccccc1F
InChIInChI=1S/C15H23FN2/c1-12-5-4-9-18(12)10-8-14(17)11-13-6-2-3-7-15(13)16/h2-3,6-7,12,14H,4-5,8-11,17H2,1H3/t12-,14?/m1/s1
InChIKeyHOLVYYHQSGMDDA-PUODRLBUSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide
CID 69136155
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
2-amino-4-(2-methylpyrrolidin-1-yl)butan-1-ol
CID 64791163
(2R)-4-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)butan-2-amine
CID 143151502
ethane;2-fluoro-2-methylbutane;1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;methoxymethane
CID 143151553
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 83126482
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
ethane;(2R)-1-(2-fluorophenyl)-4-pyrrolidin-1-ylbutan-2-amine;N-(2,2,2-trifluoroethylsulfanyl)methanamine
CID 143151525
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine (CID 143151495) is 1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine is C[C@@H]1CCCN1CCC(N)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine?
The InChIKey is HOLVYYHQSGMDDA-PUODRLBUSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-5-4-9-18(12)10-8-14(17)11-13-6-2-3-7-15(13)16/h2-3,6-7,12,14H,4-5,8-11,17H2,1H3/t12-,14?/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine?
1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine is sourced from PubChem (CID 143151495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).