N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine

C18H22FNO — CID 154512400

IUPACN-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C18H22FNO/c1-14(2)20-11-10-15-6-5-8-17(12-15)21-13-16-7-3-4-9-18(16)19/h3-9,12,14,20H,10-11,13H2,1-2H3
InChIKeyCRLXZTVNHXPUJU-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.95
Rot. Bonds7

About N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine

N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine (PubChem CID 154512400) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine
PubChem CID154512400
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C18H22FNO/c1-14(2)20-11-10-15-6-5-8-17(12-15)21-13-16-7-3-4-9-18(16)19/h3-9,12,14,20H,10-11,13H2,1-2H3
InChIKeyCRLXZTVNHXPUJU-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 99124267
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720695
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155887
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332478
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile
CID 119115289
N-[[2-[(2-fluorophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63937965
[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635433

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine (CID 154512400) is N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine is CC(C)NCCc1cccc(OCc2ccccc2F)c1.
What is the InChIKey of N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine?
The InChIKey is CRLXZTVNHXPUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14(2)20-11-10-15-6-5-8-17(12-15)21-13-16-7-3-4-9-18(16)19/h3-9,12,14,20H,10-11,13H2,1-2H3.
What are the key properties of N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine?
N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 154512400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).