N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline

C23H25FN2O2 — CID 137322696

IUPACN-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline
SMILESCOc1cccc(-c2ccc(Nc3ccc(CN(C)C)cc3)c(OC)c2F)c1
InChIInChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3
InChIKeyVDMBGVBPYJVMMO-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.32
Rot. Bonds7

About N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline

N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline (PubChem CID 137322696) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline
PubChem CID137322696
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline
SMILESCOc1cccc(-c2ccc(Nc3ccc(CN(C)C)cc3)c(OC)c2F)c1
InChIInChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3
InChIKeyVDMBGVBPYJVMMO-UHFFFAOYSA-N
XLogP5.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline (CID 137322696) is N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline is COc1cccc(-c2ccc(Nc3ccc(CN(C)C)cc3)c(OC)c2F)c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline?
The InChIKey is VDMBGVBPYJVMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3.
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline?
N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline has a molecular weight of 380.46 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]-3-fluoro-2-methoxy-4-(3-methoxyphenyl)aniline is sourced from PubChem (CID 137322696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).