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

C14H21FN2 — CID 120780449

IUPAC[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCc1cc(CN2CCC(C)(CN)C2)ccc1F
InChIInChI=1S/C14H21FN2/c1-11-7-12(3-4-13(11)15)8-17-6-5-14(2,9-16)10-17/h3-4,7H,5-6,8-10,16H2,1-2H3
InChIKeyBSFKLTPYJBGGRB-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.30
Rot. Bonds3

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

[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120780449) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120780449
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCc1cc(CN2CCC(C)(CN)C2)ccc1F
InChIInChI=1S/C14H21FN2/c1-11-7-12(3-4-13(11)15)8-17-6-5-14(2,9-16)10-17/h3-4,7H,5-6,8-10,16H2,1-2H3
InChIKeyBSFKLTPYJBGGRB-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
[1-[(4-bromo-3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120847005
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772351
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780785
1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 65068526
[1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780515

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120780449) is [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine is Cc1cc(CN2CCC(C)(CN)C2)ccc1F.
What is the InChIKey of [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is BSFKLTPYJBGGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-7-12(3-4-13(11)15)8-17-6-5-14(2,9-16)10-17/h3-4,7H,5-6,8-10,16H2,1-2H3.
What are the key properties of [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120780449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).