2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine

C13H18FNO2 — CID 117350804

IUPAC2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)cc(C(C)CN)c1OC1CC1
InChIInChI=1S/C13H18FNO2/c1-8(7-15)11-5-9(14)6-12(16-2)13(11)17-10-3-4-10/h5-6,8,10H,3-4,7,15H2,1-2H3
InChIKeyWALHPLISXMRBLX-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.44
Rot. Bonds5

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

2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine (PubChem CID 117350804) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
PubChem CID117350804
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)cc(C(C)CN)c1OC1CC1
InChIInChI=1S/C13H18FNO2/c1-8(7-15)11-5-9(14)6-12(16-2)13(11)17-10-3-4-10/h5-6,8,10H,3-4,7,15H2,1-2H3
InChIKeyWALHPLISXMRBLX-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
3-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propanoic acid
CID 117426162
2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
CID 117390658
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol
CID 84701938
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233
1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
CID 117417328
[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
CID 117424223

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine (CID 117350804) is 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine is COc1cc(F)cc(C(C)CN)c1OC1CC1.
What is the InChIKey of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine?
The InChIKey is WALHPLISXMRBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8(7-15)11-5-9(14)6-12(16-2)13(11)17-10-3-4-10/h5-6,8,10H,3-4,7,15H2,1-2H3.
What are the key properties of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine?
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine has a molecular weight of 239.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 117350804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).