1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one

C17H19NO2 — CID 82147468

IUPAC1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-17(19)15-7-9-16(10-8-15)20-12-14-5-3-13(11-18)4-6-14/h3-10H,2,11-12,18H2,1H3
InChIKeyDDMNTEMVCXNVSC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.32
Rot. Bonds6

About 1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one

1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one (PubChem CID 82147468) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
PubChem CID82147468
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-17(19)15-7-9-16(10-8-15)20-12-14-5-3-13(11-18)4-6-14/h3-10H,2,11-12,18H2,1H3
InChIKeyDDMNTEMVCXNVSC-UHFFFAOYSA-N
XLogP3.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one (CID 82147468) is 1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2ccc(CN)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one?
The InChIKey is DDMNTEMVCXNVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-17(19)15-7-9-16(10-8-15)20-12-14-5-3-13(11-18)4-6-14/h3-10H,2,11-12,18H2,1H3.
What are the key properties of 1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one?
1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one is sourced from PubChem (CID 82147468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).