1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine

C14H18FNO — CID 155370327

IUPAC1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(F)c(OCCC3CC3)c2)CC1
InChIInChI=1S/C14H18FNO/c15-12-4-3-11(14(16)6-7-14)9-13(12)17-8-5-10-1-2-10/h3-4,9-10H,1-2,5-8,16H2
InChIKeyDWYMXYASYSJYJY-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.95
Rot. Bonds5

About 1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine

1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine (PubChem CID 155370327) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine
PubChem CID155370327
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(F)c(OCCC3CC3)c2)CC1
InChIInChI=1S/C14H18FNO/c15-12-4-3-11(14(16)6-7-14)9-13(12)17-8-5-10-1-2-10/h3-4,9-10H,1-2,5-8,16H2
InChIKeyDWYMXYASYSJYJY-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422
potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114675089
3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675659
4-[2-(2-fluoro-5-methylphenoxy)ethyl]piperidine
CID 64854447
1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
CID 117413278
[5-(1-aminocyclopropyl)-2-fluorophenyl]methanol
CID 117278716
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide
CID 106201683
1-(3,4-diethoxyphenyl)cyclopropan-1-amine
CID 116989285
4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
CID 106199812
1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene
CID 114276820
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine (CID 155370327) is 1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine is NC1(c2ccc(F)c(OCCC3CC3)c2)CC1.
What is the InChIKey of 1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine?
The InChIKey is DWYMXYASYSJYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-12-4-3-11(14(16)6-7-14)9-13(12)17-8-5-10-1-2-10/h3-4,9-10H,1-2,5-8,16H2.
What are the key properties of 1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine?
1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine has a molecular weight of 235.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine is sourced from PubChem (CID 155370327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).