2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine

C15H22FNO — CID 113260684

IUPAC2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1cccc(F)c1C(C)NCC(C)C1CC1
InChIInChI=1S/C15H22FNO/c1-10(12-7-8-12)9-17-11(2)15-13(16)5-4-6-14(15)18-3/h4-6,10-12,17H,7-9H2,1-3H3
InChIKeyKEZKUBLANABYMR-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.53
Rot. Bonds6

About 2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine

2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 113260684) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
PubChem CID113260684
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1cccc(F)c1C(C)NCC(C)C1CC1
InChIInChI=1S/C15H22FNO/c1-10(12-7-8-12)9-17-11(2)15-13(16)5-4-6-14(15)18-3/h4-6,10-12,17H,7-9H2,1-3H3
InChIKeyKEZKUBLANABYMR-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 112700304
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 112700305
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103786239

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine (CID 113260684) is 2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine is COc1cccc(F)c1C(C)NCC(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is KEZKUBLANABYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(12-7-8-12)9-17-11(2)15-13(16)5-4-6-14(15)18-3/h4-6,10-12,17H,7-9H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine?
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 113260684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).