N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

C18H23NO3 — CID 119126928

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2ccc(OC)cc2OC)c1
InChIInChI=1S/C18H23NO3/c1-20-13-15-6-4-5-14(9-15)11-19-12-16-7-8-17(21-2)10-18(16)22-3/h4-10,19H,11-13H2,1-3H3
InChIKeyBUGHGJDSKLNBIW-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.14
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (PubChem CID 119126928) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
PubChem CID119126928
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2ccc(OC)cc2OC)c1
InChIInChI=1S/C18H23NO3/c1-20-13-15-6-4-5-14(9-15)11-19-12-16-7-8-17(21-2)10-18(16)22-3/h4-10,19H,11-13H2,1-3H3
InChIKeyBUGHGJDSKLNBIW-UHFFFAOYSA-N
XLogP3.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol
CID 61003043
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
N-[(2,4-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60976282
1-(3-chloro-4-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 62537275

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (CID 119126928) is N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is COCc1cccc(CNCc2ccc(OC)cc2OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The InChIKey is BUGHGJDSKLNBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-20-13-15-6-4-5-14(9-15)11-19-12-16-7-8-17(21-2)10-18(16)22-3/h4-10,19H,11-13H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine has a molecular weight of 301.39 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 119126928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).