(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine

C16H18FNO2 — CID 62505966

IUPAC(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)ccc2OC)cc1F
InChIInChI=1S/C16H18FNO2/c1-10-4-6-14(19-2)12(8-10)16(18)11-5-7-15(20-3)13(17)9-11/h4-9,16H,18H2,1-3H3
InChIKeySMEWDZKBBGMTOB-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.20
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine

(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine (PubChem CID 62505966) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
PubChem CID62505966
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)ccc2OC)cc1F
InChIInChI=1S/C16H18FNO2/c1-10-4-6-14(19-2)12(8-10)16(18)11-5-7-15(20-3)13(17)9-11/h4-9,16H,18H2,1-3H3
InChIKeySMEWDZKBBGMTOB-UHFFFAOYSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626057
[(2,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105292610
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 106877521
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(2-methoxy-5-methylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 62504903
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine (CID 62505966) is (3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine is COc1ccc(C(N)c2cc(C)ccc2OC)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine?
The InChIKey is SMEWDZKBBGMTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10-4-6-14(19-2)12(8-10)16(18)11-5-7-15(20-3)13(17)9-11/h4-9,16H,18H2,1-3H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine?
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine has a molecular weight of 275.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 62505966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).