2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine

C13H18FNO — CID 117320100

IUPAC2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
SMILESCC(CN)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C13H18FNO/c1-9(7-15)11-4-5-13(12(14)6-11)16-8-10-2-3-10/h4-6,9-10H,2-3,7-8,15H2,1H3
InChIKeyARMQFRHYOQPRKZ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.68
Rot. Bonds5

About 2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine

2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine (PubChem CID 117320100) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
PubChem CID117320100
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
SMILESCC(CN)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C13H18FNO/c1-9(7-15)11-4-5-13(12(14)6-11)16-8-10-2-3-10/h4-6,9-10H,2-3,7-8,15H2,1H3
InChIKeyARMQFRHYOQPRKZ-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
CID 117347326
1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol
CID 106929835
[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine
CID 158673497
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117388527
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170893909
3-[3-chloro-4-(cyclopropylmethoxy)phenyl]butanal
CID 117384856
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
CID 43658073

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine?
The IUPAC name of 2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine (CID 117320100) is 2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine is CC(CN)c1ccc(OCC2CC2)c(F)c1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine?
The InChIKey is ARMQFRHYOQPRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(7-15)11-4-5-13(12(14)6-11)16-8-10-2-3-10/h4-6,9-10H,2-3,7-8,15H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine?
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine is sourced from PubChem (CID 117320100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).