3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine

C12H16FNO — CID 117298784

IUPAC3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
SMILESNCCCc1cc(F)ccc1OC1CC1
InChIInChI=1S/C12H16FNO/c13-10-3-6-12(15-11-4-5-11)9(8-10)2-1-7-14/h3,6,8,11H,1-2,4-5,7,14H2
InChIKeyNUAPBUVHFXXZAX-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.26
Rot. Bonds5

About 3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine

3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine (PubChem CID 117298784) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
PubChem CID117298784
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
SMILESNCCCc1cc(F)ccc1OC1CC1
InChIInChI=1S/C12H16FNO/c13-10-3-6-12(15-11-4-5-11)9(8-10)2-1-7-14/h3,6,8,11H,1-2,4-5,7,14H2
InChIKeyNUAPBUVHFXXZAX-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
CID 117428416
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine
CID 107700340
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233
[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63673157
1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
CID 117379378
4-(2-ethyl-4-fluorophenoxy)piperidine
CID 22397525
(E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine
CID 117295806
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine (CID 117298784) is 3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine is NCCCc1cc(F)ccc1OC1CC1.
What is the InChIKey of 3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine?
The InChIKey is NUAPBUVHFXXZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-10-3-6-12(15-11-4-5-11)9(8-10)2-1-7-14/h3,6,8,11H,1-2,4-5,7,14H2.
What are the key properties of 3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine?
3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine is sourced from PubChem (CID 117298784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).