[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine

C14H21FN2O — CID 114082076

IUPAC[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(CN2CCC(C)(CN)C2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-14(9-16)5-6-17(10-14)8-11-3-4-12(18-2)7-13(11)15/h3-4,7H,5-6,8-10,16H2,1-2H3
InChIKeyPBGHTZXDYRMVGS-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.01
Rot. Bonds4

About [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 114082076) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID114082076
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(CN2CCC(C)(CN)C2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-14(9-16)5-6-17(10-14)8-11-3-4-12(18-2)7-13(11)15/h3-4,7H,5-6,8-10,16H2,1-2H3
InChIKeyPBGHTZXDYRMVGS-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967312
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120967311
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
CID 102879115
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
3-amino-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324895
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660
9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 102876803
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 102876137
[1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771819

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 114082076) is [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine is COc1ccc(CN2CCC(C)(CN)C2)c(F)c1.
What is the InChIKey of [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is PBGHTZXDYRMVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-14(9-16)5-6-17(10-14)8-11-3-4-12(18-2)7-13(11)15/h3-4,7H,5-6,8-10,16H2,1-2H3.
What are the key properties of [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114082076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).