(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine

C17H19ClFN3 — CID 69063197

IUPAC(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SMILESFc1cccc(Cl)c1CN(Cc1ccccn1)[C@H]1CCNC1
InChIInChI=1S/C17H19ClFN3/c18-16-5-3-6-17(19)15(16)12-22(14-7-9-20-10-14)11-13-4-1-2-8-21-13/h1-6,8,14,20H,7,9-12H2/t14-/m0/s1
InChIKeyHPIRHPOQYLTRPB-AWEZNQCLSA-N
MW319.81 g/mol
LogP3.24
Rot. Bonds5

About (3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine

(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 69063197) has the molecular formula C17H19ClFN3 and a molecular weight of 319.81 g/mol. Its IUPAC name is (3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID69063197
Molecular FormulaC17H19ClFN3
Molecular Weight319.81 g/mol
Exact Mass319.13
IUPAC Name(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SMILESFc1cccc(Cl)c1CN(Cc1ccccn1)[C@H]1CCNC1
InChIInChI=1S/C17H19ClFN3/c18-16-5-3-6-17(19)15(16)12-22(14-7-9-20-10-14)11-13-4-1-2-8-21-13/h1-6,8,14,20H,7,9-12H2/t14-/m0/s1
InChIKeyHPIRHPOQYLTRPB-AWEZNQCLSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride
CID 154885927
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
1-[(2-chloro-6-fluorophenyl)methyl-[(3S)-pyrrolidin-3-yl]amino]-2-methylpropan-2-ol;2,3-dihydroxybutanedioic acid
CID 69060498
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 60801937
(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129475727
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966582
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682901
N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842332

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine (CID 69063197) is (3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine is Fc1cccc(Cl)c1CN(Cc1ccccn1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is HPIRHPOQYLTRPB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19ClFN3/c18-16-5-3-6-17(19)15(16)12-22(14-7-9-20-10-14)11-13-4-1-2-8-21-13/h1-6,8,14,20H,7,9-12H2/t14-/m0/s1.
What are the key properties of (3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 319.81 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 69063197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).