N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine

C15H22FNO — CID 103902769

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO/c1-4-5-12-9-14(12)17-10(2)11-6-7-15(18-3)13(16)8-11/h6-8,10,12,14,17H,4-5,9H2,1-3H3
InChIKeyNHEJTJQMUQHPRQ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.67
Rot. Bonds6

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine (PubChem CID 103902769) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
PubChem CID103902769
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO/c1-4-5-12-9-14(12)17-10(2)11-6-7-15(18-3)13(16)8-11/h6-8,10,12,14,17H,4-5,9H2,1-3H3
InChIKeyNHEJTJQMUQHPRQ-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103881379
N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine
CID 115892229
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902739
[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]cyclopentyl]methanol
CID 103786056
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892503
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43225789
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-propylcyclopropan-1-amine
CID 103921920
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705092
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[1-(3,4-dimethylphenyl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783786

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine (CID 103902769) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine is CCCC1CC1NC(C)c1ccc(OC)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine?
The InChIKey is NHEJTJQMUQHPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-5-12-9-14(12)17-10(2)11-6-7-15(18-3)13(16)8-11/h6-8,10,12,14,17H,4-5,9H2,1-3H3.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine is sourced from PubChem (CID 103902769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).