3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine

C13H20FNO — CID 82782140

IUPAC3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(F)cc1CCCNC(C)C
InChIInChI=1S/C13H20FNO/c1-10(2)15-8-4-5-11-9-12(14)6-7-13(11)16-3/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyDMTPQLOYPYBTTP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.76
Rot. Bonds6

About 3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine

3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 82782140) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID82782140
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
SMILESCOc1ccc(F)cc1CCCNC(C)C
InChIInChI=1S/C13H20FNO/c1-10(2)15-8-4-5-11-9-12(14)6-7-13(11)16-3/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyDMTPQLOYPYBTTP-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.76
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

5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
4-(2-chloro-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 102620448
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 115196753
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 115203997
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine
CID 95441631
N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
3-(5-chloro-4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 98784567
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
CID 82782509

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine (CID 82782140) is 3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine is COc1ccc(F)cc1CCCNC(C)C.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is DMTPQLOYPYBTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)15-8-4-5-11-9-12(14)6-7-13(11)16-3/h6-7,9-10,15H,4-5,8H2,1-3H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine?
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 82782140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).