(3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C17H23F3N2 — CID 163556578

IUPAC(3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESC=CCc1cc(CN2CC[C@@H](N(C)C)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2/c1-4-5-13-8-14(10-15(9-13)17(18,19)20)11-22-7-6-16(12-22)21(2)3/h4,8-10,16H,1,5-7,11-12H2,2-3H3/t16-/m1/s1
InChIKeyFNONEGLJKHTGTE-MRXNPFEDSA-N
MW312.38 g/mol
LogP3.57
Rot. Bonds5

About (3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

(3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 163556578) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID163556578
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name(3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESC=CCc1cc(CN2CC[C@@H](N(C)C)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2/c1-4-5-13-8-14(10-15(9-13)17(18,19)20)11-22-7-6-16(12-22)21(2)3/h4,8-10,16H,1,5-7,11-12H2,2-3H3/t16-/m1/s1
InChIKeyFNONEGLJKHTGTE-MRXNPFEDSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 248799
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CID 44456131
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CID 44456132
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CID 118987451
CID 118987451
CID 44460502
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CID 12625600
CID 12625600
CID 15984120
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CID 44404549
CID 44404549
CID 44404550
CID 44404550
CID 44404571
CID 44404571
CID 44404575
CID 44404575

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 163556578) is (3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is C=CCc1cc(CN2CC[C@@H](N(C)C)C2)cc(C(F)(F)F)c1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is FNONEGLJKHTGTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23F3N2/c1-4-5-13-8-14(10-15(9-13)17(18,19)20)11-22-7-6-16(12-22)21(2)3/h4,8-10,16H,1,5-7,11-12H2,2-3H3/t16-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
(3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 312.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[[3-prop-2-enyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 163556578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).