2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine

C13H18FNO — CID 103653259

IUPAC2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(CNCCOCC2CC2)cc1
InChIInChI=1S/C13H18FNO/c14-13-5-3-11(4-6-13)9-15-7-8-16-10-12-1-2-12/h3-6,12,15H,1-2,7-10H2
InChIKeyVIGLRDPXPVGIQG-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.34
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine

2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 103653259) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID103653259
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(CNCCOCC2CC2)cc1
InChIInChI=1S/C13H18FNO/c14-13-5-3-11(4-6-13)9-15-7-8-16-10-12-1-2-12/h3-6,12,15H,1-2,7-10H2
InChIKeyVIGLRDPXPVGIQG-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653224
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 115683686
N-benzyl-2-(oxan-4-ylmethoxy)ethanamine
CID 62585148
N-[(4-bromo-3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103581710
N-[(3-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653164
N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618387
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417
3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66407185
5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile
CID 103699306
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
CID 103948001
3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 28719822

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine (CID 103653259) is 2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine is Fc1ccc(CNCCOCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is VIGLRDPXPVGIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-13-5-3-11(4-6-13)9-15-7-8-16-10-12-1-2-12/h3-6,12,15H,1-2,7-10H2.
What are the key properties of 2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103653259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).