(1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine

C17H22ClFN4 — CID 124889364

IUPAC(1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine
SMILESFCCn1ncnc1CN[C@@H](c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C17H22ClFN4/c18-15-7-3-6-14(10-15)17(13-4-1-2-5-13)20-11-16-21-12-22-23(16)9-8-19/h3,6-7,10,12-13,17,20H,1-2,4-5,8-9,11H2/t17-/m1/s1
InChIKeyUFTTZMLYFHUSCD-QGZVFWFLSA-N
MW336.84 g/mol
LogP3.92
Rot. Bonds7

About (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine

(1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine (PubChem CID 124889364) has the molecular formula C17H22ClFN4 and a molecular weight of 336.84 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine
PubChem CID124889364
Molecular FormulaC17H22ClFN4
Molecular Weight336.84 g/mol
Exact Mass336.15
IUPAC Name(1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine
SMILESFCCn1ncnc1CN[C@@H](c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C17H22ClFN4/c18-15-7-3-6-14(10-15)17(13-4-1-2-5-13)20-11-16-21-12-22-23(16)9-8-19/h3,6-7,10,12-13,17,20H,1-2,4-5,8-9,11H2/t17-/m1/s1
InChIKeyUFTTZMLYFHUSCD-QGZVFWFLSA-N
XLogP3.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine with MolForge

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Related Compounds

N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide
CID 127879522
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
cis-(1S,2R)-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
CID 124855195
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 170579337
1-cyclopentyl-1-(2-methoxyphenyl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 84596178
(1S)-1-cyclopentyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81395391
2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79443116
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide
CID 170580171
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 170580700
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
(8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 99824859

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine (CID 124889364) is (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine is FCCn1ncnc1CN[C@@H](c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine?
The InChIKey is UFTTZMLYFHUSCD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22ClFN4/c18-15-7-3-6-14(10-15)17(13-4-1-2-5-13)20-11-16-21-12-22-23(16)9-8-19/h3,6-7,10,12-13,17,20H,1-2,4-5,8-9,11H2/t17-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine?
(1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine has a molecular weight of 336.84 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-1-cyclopentyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]methanamine is sourced from PubChem (CID 124889364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).