N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine

C16H25FN2 — CID 99931195

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine
SMILESCc1ccc(F)c(CN(C)C[C@@H]2CCCCN2C)c1
InChIInChI=1S/C16H25FN2/c1-13-7-8-16(17)14(10-13)11-18(2)12-15-6-4-5-9-19(15)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3/t15-/m0/s1
InChIKeyBYQSJYORRSTDFL-HNNXBMFYSA-N
MW264.39 g/mol
LogP3.05
Rot. Bonds4

About N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine

N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine (PubChem CID 99931195) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine
PubChem CID99931195
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine
SMILESCc1ccc(F)c(CN(C)C[C@@H]2CCCCN2C)c1
InChIInChI=1S/C16H25FN2/c1-13-7-8-16(17)14(10-13)11-18(2)12-15-6-4-5-9-19(15)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3/t15-/m0/s1
InChIKeyBYQSJYORRSTDFL-HNNXBMFYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine (CID 99931195) is N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine is Cc1ccc(F)c(CN(C)C[C@@H]2CCCCN2C)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine?
The InChIKey is BYQSJYORRSTDFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13-7-8-16(17)14(10-13)11-18(2)12-15-6-4-5-9-19(15)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine?
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 99931195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).