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

C19H24FNO — CID 54803819

IUPAC1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
SMILESCC(C)CCOc1cccc(CNCc2ccc(F)cc2)c1
InChIInChI=1S/C19H24FNO/c1-15(2)10-11-22-19-5-3-4-17(12-19)14-21-13-16-6-8-18(20)9-7-16/h3-9,12,15,21H,10-11,13-14H2,1-2H3
InChIKeySBFVGJMUTVOFEA-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.54
Rot. Bonds8

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

1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine (PubChem CID 54803819) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
PubChem CID54803819
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
SMILESCC(C)CCOc1cccc(CNCc2ccc(F)cc2)c1
InChIInChI=1S/C19H24FNO/c1-15(2)10-11-22-19-5-3-4-17(12-19)14-21-13-16-6-8-18(20)9-7-16/h3-9,12,15,21H,10-11,13-14H2,1-2H3
InChIKeySBFVGJMUTVOFEA-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
4-fluoro-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796497
N-[(4-fluorophenyl)methyl]-3-(3-methylbutoxy)aniline
CID 54800545
1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine
CID 54803922
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307264
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 28671880
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
2,4,6-trimethyl-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796633
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
CID 142090571

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine (CID 54803819) is 1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine is CC(C)CCOc1cccc(CNCc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine?
The InChIKey is SBFVGJMUTVOFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-15(2)10-11-22-19-5-3-4-17(12-19)14-21-13-16-6-8-18(20)9-7-16/h3-9,12,15,21H,10-11,13-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine?
1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine has a molecular weight of 301.41 g/mol, XLogP of 4.54, 8 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-(3-methylbutoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 54803819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).