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

C14H21FN2 — CID 105372590

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
SMILESCc1ccc(F)cc1CN1CC(C)CC(N)C1
InChIInChI=1S/C14H21FN2/c1-10-5-14(16)9-17(7-10)8-12-6-13(15)4-3-11(12)2/h3-4,6,10,14H,5,7-9,16H2,1-2H3
InChIKeyGDNQNFKBOZVKTL-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.30
Rot. Bonds2

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

1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine (PubChem CID 105372590) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
PubChem CID105372590
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
SMILESCc1ccc(F)cc1CN1CC(C)CC(N)C1
InChIInChI=1S/C14H21FN2/c1-10-5-14(16)9-17(7-10)8-12-6-13(15)4-3-11(12)2/h3-4,6,10,14H,5,7-9,16H2,1-2H3
InChIKeyGDNQNFKBOZVKTL-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

2-[(3-amino-5-methylpiperidin-1-yl)methyl]-4-fluorobenzonitrile
CID 79993584
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine
CID 102877833
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
CID 22197972
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 114453810
1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine
CID 131049147
2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol
CID 79986823
(NE)-N-[1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 105371892
1-[(4-fluoro-2-methylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908869
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 79992959

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine (CID 105372590) is 1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine is Cc1ccc(F)cc1CN1CC(C)CC(N)C1.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is GDNQNFKBOZVKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-5-14(16)9-17(7-10)8-12-6-13(15)4-3-11(12)2/h3-4,6,10,14H,5,7-9,16H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine?
1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 105372590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).