3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine

C15H22FNO — CID 104995042

IUPAC3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCC1CC1)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO/c1-3-17-14(8-6-11-4-5-11)12-7-9-15(18-2)13(16)10-12/h7,9-11,14,17H,3-6,8H2,1-2H3
InChIKeyOTQDEPMSZXYPSJ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.68
Rot. Bonds7

About 3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine

3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine (PubChem CID 104995042) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
PubChem CID104995042
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCC1CC1)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO/c1-3-17-14(8-6-11-4-5-11)12-7-9-15(18-2)13(16)10-12/h7,9-11,14,17H,3-6,8H2,1-2H3
InChIKeyOTQDEPMSZXYPSJ-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
[3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propyl]hydrazine
CID 105315091
3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 43492217
3-(ethylamino)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 65233760
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 79746697
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556253
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropyl-N-ethylpropan-1-amine
CID 104995067
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine
CID 116951797

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine (CID 104995042) is 3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine is CCNC(CCC1CC1)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The InChIKey is OTQDEPMSZXYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17-14(8-6-11-4-5-11)12-7-9-15(18-2)13(16)10-12/h7,9-11,14,17H,3-6,8H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine?
3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 104995042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).