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

C23H26N2O2 — CID 137322695

IUPACN-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline
SMILESCOc1cccc(-c2ccc(Nc3ccc(CN(C)C)cc3)c(OC)c2)c1
InChIInChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3
InChIKeySVFQGOYYBWCBTN-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.18
Rot. Bonds7

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

N-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline (PubChem CID 137322695) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline
PubChem CID137322695
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline
SMILESCOc1cccc(-c2ccc(Nc3ccc(CN(C)C)cc3)c(OC)c2)c1
InChIInChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3
InChIKeySVFQGOYYBWCBTN-UHFFFAOYSA-N
XLogP5.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.18
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]-2-methoxy-4-(3-methoxyphenyl)aniline?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline (CID 137322695) is N-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline is COc1cccc(-c2ccc(Nc3ccc(CN(C)C)cc3)c(OC)c2)c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline?
The InChIKey is SVFQGOYYBWCBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3.
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline?
N-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-4-(3-methoxyphenyl)aniline has a molecular weight of 362.47 g/mol, XLogP of 5.18, 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]-2-methoxy-4-(3-methoxyphenyl)aniline is sourced from PubChem (CID 137322695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).