N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine

C14H20ClFN2 — CID 114851223

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1ccc(Cl)cc1F)C1CCNC1
InChIInChI=1S/C14H20ClFN2/c1-2-7-18(13-5-6-17-9-13)10-11-3-4-12(15)8-14(11)16/h3-4,8,13,17H,2,5-7,9-10H2,1H3
InChIKeyUPNURHDPELYOBF-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine

N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 114851223) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID114851223
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1ccc(Cl)cc1F)C1CCNC1
InChIInChI=1S/C14H20ClFN2/c1-2-7-18(13-5-6-17-9-13)10-11-3-4-12(15)8-14(11)16/h3-4,8,13,17H,2,5-7,9-10H2,1H3
InChIKeyUPNURHDPELYOBF-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63637857
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
5-fluoro-2-[[propyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
CID 63304215
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine
CID 116519800
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 106264854
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300164

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine (CID 114851223) is N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1ccc(Cl)cc1F)C1CCNC1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is UPNURHDPELYOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-2-7-18(13-5-6-17-9-13)10-11-3-4-12(15)8-14(11)16/h3-4,8,13,17H,2,5-7,9-10H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 270.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 114851223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).