N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine

C18H22FNO — CID 63935153

IUPACN-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1COCc1ccccc1F
InChIInChI=1S/C18H22FNO/c1-14(2)20-11-15-7-3-4-8-16(15)12-21-13-17-9-5-6-10-18(17)19/h3-10,14,20H,11-13H2,1-2H3
InChIKeyDEBLEVPUWZDAIW-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.04
Rot. Bonds7

About N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine

N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine (PubChem CID 63935153) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
PubChem CID63935153
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1COCc1ccccc1F
InChIInChI=1S/C18H22FNO/c1-14(2)20-11-15-7-3-4-8-16(15)12-21-13-17-9-5-6-10-18(17)19/h3-10,14,20H,11-13H2,1-2H3
InChIKeyDEBLEVPUWZDAIW-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine (CID 63935153) is N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1COCc1ccccc1F.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine?
The InChIKey is DEBLEVPUWZDAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14(2)20-11-15-7-3-4-8-16(15)12-21-13-17-9-5-6-10-18(17)19/h3-10,14,20H,11-13H2,1-2H3.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine?
N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methoxymethyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63935153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).