3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine

C14H20FNO — CID 117347326

IUPAC3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
SMILESCC(CCN)c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C14H20FNO/c1-10(6-7-16)13-8-12(15)4-5-14(13)17-9-11-2-3-11/h4-5,8,10-11H,2-3,6-7,9,16H2,1H3
InChIKeyJDLSCSYEEJEVBD-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.07
Rot. Bonds6

About 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine

3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine (PubChem CID 117347326) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
PubChem CID117347326
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
SMILESCC(CCN)c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C14H20FNO/c1-10(6-7-16)13-8-12(15)4-5-14(13)17-9-11-2-3-11/h4-5,8,10-11H,2-3,6-7,9,16H2,1H3
InChIKeyJDLSCSYEEJEVBD-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate
CID 117388561
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
CID 117377475
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
CID 117387783
[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride
CID 86287636
3-amino-3-[2-(cyclobutylmethoxy)-5-fluorophenyl]propanoic acid
CID 117421508
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
2-(cyclopropylmethoxy)-4-fluorobenzamide
CID 70194943
S-[3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2,3-dihydroxypropyl] ethanethioate
CID 170822741

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine?
The IUPAC name of 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine (CID 117347326) is 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine is CC(CCN)c1cc(F)ccc1OCC1CC1.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine?
The InChIKey is JDLSCSYEEJEVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(6-7-16)13-8-12(15)4-5-14(13)17-9-11-2-3-11/h4-5,8,10-11H,2-3,6-7,9,16H2,1H3.
What are the key properties of 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine?
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine is sourced from PubChem (CID 117347326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).