[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine

C15H17FN2O — CID 173141464

IUPAC[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1-c1ccc(F)cc1CN
InChIInChI=1S/C15H17FN2O/c1-19-14-4-2-3-10(8-17)15(14)13-6-5-12(16)7-11(13)9-18/h2-7H,8-9,17-18H2,1H3
InChIKeyNLDHZCFUIIABJI-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.42
Rot. Bonds4

About [2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine

[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine (PubChem CID 173141464) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is [2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine
PubChem CID173141464
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1-c1ccc(F)cc1CN
InChIInChI=1S/C15H17FN2O/c1-19-14-4-2-3-10(8-17)15(14)13-6-5-12(16)7-11(13)9-18/h2-7H,8-9,17-18H2,1H3
InChIKeyNLDHZCFUIIABJI-UHFFFAOYSA-N
XLogP2.42
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine?
The IUPAC name of [2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine (CID 173141464) is [2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine is COc1cccc(CN)c1-c1ccc(F)cc1CN.
What is the InChIKey of [2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine?
The InChIKey is NLDHZCFUIIABJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-19-14-4-2-3-10(8-17)15(14)13-6-5-12(16)7-11(13)9-18/h2-7H,8-9,17-18H2,1H3.
What are the key properties of [2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine?
[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine has a molecular weight of 260.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 173141464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).