2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine

C13H20FNO — CID 81113900

IUPAC2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OCCCF
InChIInChI=1S/C13H20FNO/c1-10-8-12(4-6-15)9-11(2)13(10)16-7-3-5-14/h8-9H,3-7,15H2,1-2H3
InChIKeyDOFSXQNIKYUOAL-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.54
Rot. Bonds6

About 2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine

2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine (PubChem CID 81113900) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
PubChem CID81113900
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OCCCF
InChIInChI=1S/C13H20FNO/c1-10-8-12(4-6-15)9-11(2)13(10)16-7-3-5-14/h8-9H,3-7,15H2,1-2H3
InChIKeyDOFSXQNIKYUOAL-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 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 ≤ 52.54
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

3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine
CID 114526284
2-[3,5-dimethyl-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]ethanamine
CID 116617103
2-(3-fluoropropoxy)-3,5-dimethylaniline
CID 81105678
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019
4-(3-fluoropropoxy)-3,5-dimethylbenzenecarbothioamide
CID 81105439
2-[3,5-dimethyl-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 106705596
2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine
CID 80694644
2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 114348464
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
CID 62627959
2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine
CID 79888054

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine?
The IUPAC name of 2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine (CID 81113900) is 2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine?
The canonical SMILES for 2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine is Cc1cc(CCN)cc(C)c1OCCCF.
What is the InChIKey of 2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine?
The InChIKey is DOFSXQNIKYUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10-8-12(4-6-15)9-11(2)13(10)16-7-3-5-14/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine?
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine has a molecular weight of 225.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine is sourced from PubChem (CID 81113900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).