1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine

C17H18ClFN2 — CID 43150727

IUPAC1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
SMILESFc1ccc(NC2CCN(Cc3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C17H18ClFN2/c18-16-10-14(19)6-7-17(16)20-15-8-9-21(12-15)11-13-4-2-1-3-5-13/h1-7,10,15,20H,8-9,11-12H2
InChIKeyZYXRUSBOMAADMN-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.17
Rot. Bonds4

About 1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine

1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine (PubChem CID 43150727) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
PubChem CID43150727
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
SMILESFc1ccc(NC2CCN(Cc3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C17H18ClFN2/c18-16-10-14(19)6-7-17(16)20-15-8-9-21(12-15)11-13-4-2-1-3-5-13/h1-7,10,15,20H,8-9,11-12H2
InChIKeyZYXRUSBOMAADMN-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(1-benzylpyrrolidin-3-yl)amino]-5-fluorobenzoate
CID 113223887
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine
CID 21193065
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine
CID 113384475
2-[4-(2-chloro-4-fluoroanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43773958
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine
CID 104776249
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine (CID 43150727) is 1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine is Fc1ccc(NC2CCN(Cc3ccccc3)C2)c(Cl)c1.
What is the InChIKey of 1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is ZYXRUSBOMAADMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c18-16-10-14(19)6-7-17(16)20-15-8-9-21(12-15)11-13-4-2-1-3-5-13/h1-7,10,15,20H,8-9,11-12H2.
What are the key properties of 1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine?
1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 304.80 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 43150727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).