N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine

C15H23FN2O — CID 115209327

IUPACN-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine
SMILESCCOc1ccc(CNCC2CCCCN2)cc1F
InChIInChI=1S/C15H23FN2O/c1-2-19-15-7-6-12(9-14(15)16)10-17-11-13-5-3-4-8-18-13/h6-7,9,13,17-18H,2-5,8,10-11H2,1H3
InChIKeyYTYGFFHPBYFNMC-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.46
Rot. Bonds6

About N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine

N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine (PubChem CID 115209327) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine
PubChem CID115209327
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine
SMILESCCOc1ccc(CNCC2CCCCN2)cc1F
InChIInChI=1S/C15H23FN2O/c1-2-19-15-7-6-12(9-14(15)16)10-17-11-13-5-3-4-8-18-13/h6-7,9,13,17-18H,2-5,8,10-11H2,1H3
InChIKeyYTYGFFHPBYFNMC-UHFFFAOYSA-N
XLogP2.46
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208258
N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208247
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 115118835
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
2-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]piperidine
CID 82499355
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210222
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine?
The IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine (CID 115209327) is N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine is CCOc1ccc(CNCC2CCCCN2)cc1F.
What is the InChIKey of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine?
The InChIKey is YTYGFFHPBYFNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-19-15-7-6-12(9-14(15)16)10-17-11-13-5-3-4-8-18-13/h6-7,9,13,17-18H,2-5,8,10-11H2,1H3.
What are the key properties of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine?
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-fluorophenyl)methyl]-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 115209327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).