1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine

C15H22FNO — CID 103904006

IUPAC1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
SMILESCOCCC1(CNC(C)c2cccc(F)c2)CC1
InChIInChI=1S/C15H22FNO/c1-12(13-4-3-5-14(16)10-13)17-11-15(6-7-15)8-9-18-2/h3-5,10,12,17H,6-9,11H2,1-2H3
InChIKeyFPOHEOKXPPZCQH-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.29
Rot. Bonds7

About 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine

1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine (PubChem CID 103904006) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
PubChem CID103904006
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
SMILESCOCCC1(CNC(C)c2cccc(F)c2)CC1
InChIInChI=1S/C15H22FNO/c1-12(13-4-3-5-14(16)10-13)17-11-15(6-7-15)8-9-18-2/h3-5,10,12,17H,6-9,11H2,1-2H3
InChIKeyFPOHEOKXPPZCQH-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide
CID 103903900
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-naphthalen-2-ylethanamine
CID 103903949
2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81365372
(1R)-1-(3-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81365715
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103903901
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
CID 103903827
1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 102613050
3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270703
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
1-[1-(3-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989658
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine (CID 103904006) is 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine is COCCC1(CNC(C)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
The InChIKey is FPOHEOKXPPZCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12(13-4-3-5-14(16)10-13)17-11-15(6-7-15)8-9-18-2/h3-5,10,12,17H,6-9,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 103904006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).