1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine

C19H24FNO — CID 54803922

IUPAC1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine
SMILESCCCCCOc1cccc(CNCc2ccc(F)cc2)c1
InChIInChI=1S/C19H24FNO/c1-2-3-4-12-22-19-7-5-6-17(13-19)15-21-14-16-8-10-18(20)11-9-16/h5-11,13,21H,2-4,12,14-15H2,1H3
InChIKeyAFIJHEJEHUBONG-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.68
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine

1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine (PubChem CID 54803922) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine
PubChem CID54803922
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine
SMILESCCCCCOc1cccc(CNCc2ccc(F)cc2)c1
InChIInChI=1S/C19H24FNO/c1-2-3-4-12-22-19-7-5-6-17(13-19)15-21-14-16-8-10-18(20)11-9-16/h5-11,13,21H,2-4,12,14-15H2,1H3
InChIKeyAFIJHEJEHUBONG-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.68
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

1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
CID 54803819
N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848590
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[(2,4-dihexoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 54803885
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
CID 54850246
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 62539082
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
N',N'-dibutyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214569

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine (CID 54803922) is 1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine is CCCCCOc1cccc(CNCc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine?
The InChIKey is AFIJHEJEHUBONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-2-3-4-12-22-19-7-5-6-17(13-19)15-21-14-16-8-10-18(20)11-9-16/h5-11,13,21H,2-4,12,14-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine has a molecular weight of 301.41 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine is sourced from PubChem (CID 54803922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).