1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

C18H20FNO — CID 114521568

IUPAC1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C18H20FNO/c1-12-6-7-14(11-17(12)19)18(20-2)13-4-3-5-16(10-13)21-15-8-9-15/h3-7,10-11,15,18,20H,8-9H2,1-2H3
InChIKeyPHKKPBRWQLECPQ-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.98
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 114521568) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID114521568
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C18H20FNO/c1-12-6-7-14(11-17(12)19)18(20-2)13-4-3-5-16(10-13)21-15-8-9-15/h3-7,10-11,15,18,20H,8-9H2,1-2H3
InChIKeyPHKKPBRWQLECPQ-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114522070
1-(4-cyclopropyloxyphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105051420
[(3-cyclopropyloxyphenyl)-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105211726
1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 105051704
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105188536
1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 106858802
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105188667
(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114518560
(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
CID 114521500
[(3-cyclopropyloxyphenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105341115
1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
CID 114521712
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (CID 114521568) is 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1cccc(OC2CC2)c1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is PHKKPBRWQLECPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-6-7-14(11-17(12)19)18(20-2)13-4-3-5-16(10-13)21-15-8-9-15/h3-7,10-11,15,18,20H,8-9H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 114521568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).