1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine

C18H22FNO — CID 105050407

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccc(F)c(OC)c2)c1
InChIInChI=1S/C18H22FNO/c1-4-6-13-7-5-8-14(11-13)18(20-2)15-9-10-16(19)17(12-15)21-3/h5,7-12,18,20H,4,6H2,1-3H3
InChIKeyGSZZHZAHSMCQPX-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.10
Rot. Bonds6

About 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine

1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine (PubChem CID 105050407) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
PubChem CID105050407
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccc(F)c(OC)c2)c1
InChIInChI=1S/C18H22FNO/c1-4-6-13-7-5-8-14(11-13)18(20-2)15-9-10-16(19)17(12-15)21-3/h5,7-12,18,20H,4,6H2,1-3H3
InChIKeyGSZZHZAHSMCQPX-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-phenylmethanamine
CID 81283092
1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116543823
1-(3-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105018455
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 81282943
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81283311
1-(3,4-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283805
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 81283237
[(3-methoxy-4-methylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340457
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050563

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine (CID 105050407) is 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine is CCCc1cccc(C(NC)c2ccc(F)c(OC)c2)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The InChIKey is GSZZHZAHSMCQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-6-13-7-5-8-14(11-13)18(20-2)15-9-10-16(19)17(12-15)21-3/h5,7-12,18,20H,4,6H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine is sourced from PubChem (CID 105050407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).