N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine

C14H21FN2O — CID 82994281

IUPACN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCOc1cc(C(C)NC2CCN(C)C2)ccc1F
InChIInChI=1S/C14H21FN2O/c1-10(16-12-6-7-17(2)9-12)11-4-5-13(15)14(8-11)18-3/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeyBCPAWLPATCBBCZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.19
Rot. Bonds4

About N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine (PubChem CID 82994281) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
PubChem CID82994281
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCOc1cc(C(C)NC2CCN(C)C2)ccc1F
InChIInChI=1S/C14H21FN2O/c1-10(16-12-6-7-17(2)9-12)11-4-5-13(15)14(8-11)18-3/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeyBCPAWLPATCBBCZ-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 82993850
2-methoxy-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenol
CID 43373375
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949716
cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine
CID 90768102
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 61462428
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79145243

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine (CID 82994281) is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine is COc1cc(C(C)NC2CCN(C)C2)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The InChIKey is BCPAWLPATCBBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(16-12-6-7-17(2)9-12)11-4-5-13(15)14(8-11)18-3/h4-5,8,10,12,16H,6-7,9H2,1-3H3.
What are the key properties of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine?
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine has a molecular weight of 252.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 82994281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).