1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine

C13H18FNO — CID 142360265

IUPAC1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C13H18FNO/c1-9(15-2)11-5-6-12(14)13(7-11)16-8-10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3
InChIKeyHORGMFFBLYOQPY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.89
Rot. Bonds5

About 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine

1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine (PubChem CID 142360265) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
PubChem CID142360265
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C13H18FNO/c1-9(15-2)11-5-6-12(14)13(7-11)16-8-10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3
InChIKeyHORGMFFBLYOQPY-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 134558220
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
CID 70910103
(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)-N-methylethanamine
CID 142399949
(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine
CID 135220431
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide
CID 142360430
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863
2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene
CID 134559559
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
CID 142360414
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146353456

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine (CID 142360265) is 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine?
The InChIKey is HORGMFFBLYOQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(15-2)11-5-6-12(14)13(7-11)16-8-10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3.
What are the key properties of 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine?
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 142360265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).