1-(3-fluoro-4-nonoxyphenyl)propan-2-amine

C18H30FNO — CID 107693028

IUPAC1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
SMILESCCCCCCCCCOc1ccc(CC(C)N)cc1F
InChIInChI=1S/C18H30FNO/c1-3-4-5-6-7-8-9-12-21-18-11-10-16(13-15(2)20)14-17(18)19/h10-11,14-15H,3-9,12-13,20H2,1-2H3
InChIKeyUBSDXAIJIMNQIA-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.84
Rot. Bonds11

About 1-(3-fluoro-4-nonoxyphenyl)propan-2-amine

1-(3-fluoro-4-nonoxyphenyl)propan-2-amine (PubChem CID 107693028) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 1-(3-fluoro-4-nonoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
PubChem CID107693028
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
SMILESCCCCCCCCCOc1ccc(CC(C)N)cc1F
InChIInChI=1S/C18H30FNO/c1-3-4-5-6-7-8-9-12-21-18-11-10-16(13-15(2)20)14-17(18)19/h10-11,14-15H,3-9,12-13,20H2,1-2H3
InChIKeyUBSDXAIJIMNQIA-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.84
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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Related Compounds

1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
1-[4-pentoxy-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320382
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 107693186
1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
CID 107693080
2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene
CID 59683719
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
4-dodecoxy-3-fluoroaniline
CID 63404209
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-nonoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-nonoxyphenyl)propan-2-amine (CID 107693028) is 1-(3-fluoro-4-nonoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-nonoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-nonoxyphenyl)propan-2-amine is CCCCCCCCCOc1ccc(CC(C)N)cc1F.
What is the InChIKey of 1-(3-fluoro-4-nonoxyphenyl)propan-2-amine?
The InChIKey is UBSDXAIJIMNQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-3-4-5-6-7-8-9-12-21-18-11-10-16(13-15(2)20)14-17(18)19/h10-11,14-15H,3-9,12-13,20H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-nonoxyphenyl)propan-2-amine?
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine has a molecular weight of 295.44 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-nonoxyphenyl)propan-2-amine is sourced from PubChem (CID 107693028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).