N-[3-(3-fluorophenyl)propoxy]methanamine

C10H14FNO — CID 117126889

IUPACN-[3-(3-fluorophenyl)propoxy]methanamine
SMILESCNOCCCc1cccc(F)c1
InChIInChI=1S/C10H14FNO/c1-12-13-7-3-5-9-4-2-6-10(11)8-9/h2,4,6,8,12H,3,5,7H2,1H3
InChIKeyVIBMMQORMPMCJD-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.91
Rot. Bonds5

About N-[3-(3-fluorophenyl)propoxy]methanamine

N-[3-(3-fluorophenyl)propoxy]methanamine (PubChem CID 117126889) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)propoxy]methanamine.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)propoxy]methanamine
PubChem CID117126889
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-[3-(3-fluorophenyl)propoxy]methanamine
SMILESCNOCCCc1cccc(F)c1
InChIInChI=1S/C10H14FNO/c1-12-13-7-3-5-9-4-2-6-10(11)8-9/h2,4,6,8,12H,3,5,7H2,1H3
InChIKeyVIBMMQORMPMCJD-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methoxyphenyl)propoxy]methanamine
CID 117126893
acetylene;1-butyl-3-fluorobenzene
CID 142913636
2-(3-fluorophenyl)ethoxy-dimethoxysilane
CID 152766772
CID 90171486
CID 90171486
N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83157209
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
CID 90172853
CID 90172853
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
CID 143800069
3-[2-(3-fluorophenyl)ethoxymethyl]-N,1,3-trimethylcyclobutan-1-amine
CID 142585756
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)propoxy]methanamine?
The IUPAC name of N-[3-(3-fluorophenyl)propoxy]methanamine (CID 117126889) is N-[3-(3-fluorophenyl)propoxy]methanamine.
What is the SMILES notation for N-[3-(3-fluorophenyl)propoxy]methanamine?
The canonical SMILES for N-[3-(3-fluorophenyl)propoxy]methanamine is CNOCCCc1cccc(F)c1.
What is the InChIKey of N-[3-(3-fluorophenyl)propoxy]methanamine?
The InChIKey is VIBMMQORMPMCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-12-13-7-3-5-9-4-2-6-10(11)8-9/h2,4,6,8,12H,3,5,7H2,1H3.
What are the key properties of N-[3-(3-fluorophenyl)propoxy]methanamine?
N-[3-(3-fluorophenyl)propoxy]methanamine has a molecular weight of 183.23 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)propoxy]methanamine is sourced from PubChem (CID 117126889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).