1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine

C12H16ClFN2 — CID 103576941

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2cc(F)ccc2Cl)CC1N
InChIInChI=1S/C12H16ClFN2/c1-8-5-16(7-12(8)15)6-9-4-10(14)2-3-11(9)13/h2-4,8,12H,5-7,15H2,1H3
InChIKeyBWMKTLKVZVJYSB-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.26
Rot. Bonds2

About 1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine

1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 103576941) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID103576941
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2cc(F)ccc2Cl)CC1N
InChIInChI=1S/C12H16ClFN2/c1-8-5-16(7-12(8)15)6-9-4-10(14)2-3-11(9)13/h2-4,8,12H,5-7,15H2,1H3
InChIKeyBWMKTLKVZVJYSB-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluoro-2-methylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908869
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867288
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
1-[(3-bromo-4-chlorophenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909523
1-[(2-chloro-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909314
4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909872
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620188
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
CID 103577160

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine (CID 103576941) is 1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2cc(F)ccc2Cl)CC1N.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is BWMKTLKVZVJYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-8-5-16(7-12(8)15)6-9-4-10(14)2-3-11(9)13/h2-4,8,12H,5-7,15H2,1H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine?
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 242.72 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).