1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine

C18H22FNO — CID 114829611

IUPAC1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine
SMILESCc1cccc(OCCNC(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO/c1-14-4-3-5-18(12-14)21-11-10-20-15(2)13-16-6-8-17(19)9-7-16/h3-9,12,15,20H,10-11,13H2,1-2H3
InChIKeyQXFFWZNFWRPSSD-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.73
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine

1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine (PubChem CID 114829611) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine
PubChem CID114829611
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine
SMILESCc1cccc(OCCNC(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO/c1-14-4-3-5-18(12-14)21-11-10-20-15(2)13-16-6-8-17(19)9-7-16/h3-9,12,15,20H,10-11,13H2,1-2H3
InChIKeyQXFFWZNFWRPSSD-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
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-[2-(3-bromophenoxy)ethyl]-1-phenylpropan-2-amine
CID 63011429
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
1-(3,4-difluorophenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60694256
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
CID 55013093
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540182
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 63455557
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
2-methyl-3-[2-(3-methylphenoxy)ethylamino]butanoic acid
CID 79392076
1-(4-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105078427

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine (CID 114829611) is 1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine is Cc1cccc(OCCNC(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine?
The InChIKey is QXFFWZNFWRPSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14-4-3-5-18(12-14)21-11-10-20-15(2)13-16-6-8-17(19)9-7-16/h3-9,12,15,20H,10-11,13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine?
1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine is sourced from PubChem (CID 114829611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).