N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine

C11H16FNO — CID 3740032

IUPACN-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-14-8-2-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKeySTRYNRNYZSHRED-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.95
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine

N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine (PubChem CID 3740032) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
PubChem CID3740032
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-14-8-2-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKeySTRYNRNYZSHRED-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine (CID 3740032) is N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine is COCCCNCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine?
The InChIKey is STRYNRNYZSHRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-14-8-2-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine?
N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 3740032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).