(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine

C12H17FN2 — CID 24904987

IUPAC(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1ccc(F)cc1CN1CC[C@H](N)C1
InChIInChI=1S/C12H17FN2/c1-9-2-3-11(13)6-10(9)7-15-5-4-12(14)8-15/h2-3,6,12H,4-5,7-8,14H2,1H3/t12-/m0/s1
InChIKeyFSBLZVLSYFKOFG-LBPRGKRZSA-N
MW208.28 g/mol
LogP1.67
Rot. Bonds2

About (3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine

(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 24904987) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is (3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
PubChem CID24904987
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1ccc(F)cc1CN1CC[C@H](N)C1
InChIInChI=1S/C12H17FN2/c1-9-2-3-11(13)6-10(9)7-15-5-4-12(14)8-15/h2-3,6,12H,4-5,7-8,14H2,1H3/t12-/m0/s1
InChIKeyFSBLZVLSYFKOFG-LBPRGKRZSA-N
XLogP1.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
CID 105372590
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
(3S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 115302519
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
CID 106838045
1-[(3R,4S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-yl]-4-methylpiperazine
CID 124885142

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine (CID 24904987) is (3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine is Cc1ccc(F)cc1CN1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is FSBLZVLSYFKOFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-2-3-11(13)6-10(9)7-15-5-4-12(14)8-15/h2-3,6,12H,4-5,7-8,14H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine?
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 208.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 24904987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).