(1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine

C19H22ClFN2 — CID 25265632

IUPAC(1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESC[C@@H](NCC1CCN(c2ccc(F)cc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClFN2/c1-14(16-3-2-4-17(20)11-16)22-12-15-9-10-23(13-15)19-7-5-18(21)6-8-19/h2-8,11,14-15,22H,9-10,12-13H2,1H3/t14-,15?/m1/s1
InChIKeyPIOMUHHKNVDAOX-GICMACPYSA-N
MW332.85 g/mol
LogP4.66
Rot. Bonds5

About (1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine

(1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 25265632) has the molecular formula C19H22ClFN2 and a molecular weight of 332.85 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID25265632
Molecular FormulaC19H22ClFN2
Molecular Weight332.85 g/mol
Exact Mass332.15
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESC[C@@H](NCC1CCN(c2ccc(F)cc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClFN2/c1-14(16-3-2-4-17(20)11-16)22-12-15-9-10-23(13-15)19-7-5-18(21)6-8-19/h2-8,11,14-15,22H,9-10,12-13H2,1H3/t14-,15?/m1/s1
InChIKeyPIOMUHHKNVDAOX-GICMACPYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112769455
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
(1R)-N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-pyridin-3-ylethanamine
CID 97158257
1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methylbutan-1-amine
CID 83467641
(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
CID 114223881
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260530
(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81371851
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylamino]-2-methylbutan-2-ol
CID 138006399
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 65436566

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine (CID 25265632) is (1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine is C[C@@H](NCC1CCN(c2ccc(F)cc2)C1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is PIOMUHHKNVDAOX-GICMACPYSA-N. The full InChI is InChI=1S/C19H22ClFN2/c1-14(16-3-2-4-17(20)11-16)22-12-15-9-10-23(13-15)19-7-5-18(21)6-8-19/h2-8,11,14-15,22H,9-10,12-13H2,1H3/t14-,15?/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine?
(1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 332.85 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 25265632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).