N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine

C18H23NO3 — CID 101056991

IUPACN-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
SMILES[2H]c1c(CN(C)Cc2cccc(OC)c2)ccc(OC)c1OC
InChIInChI=1S/C18H23NO3/c1-19(12-14-6-5-7-16(10-14)20-2)13-15-8-9-17(21-3)18(11-15)22-4/h5-11H,12-13H2,1-4H3/i11D
InChIKeyBITCHOXVWQFDBR-WORMITQPSA-N
MW302.39 g/mol
LogP3.34
Rot. Bonds7

About N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine

N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 101056991) has the molecular formula C18H23NO3 and a molecular weight of 302.39 g/mol. Its IUPAC name is N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID101056991
Molecular FormulaC18H23NO3
Molecular Weight302.39 g/mol
Exact Mass302.17
IUPAC NameN-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
SMILES[2H]c1c(CN(C)Cc2cccc(OC)c2)ccc(OC)c1OC
InChIInChI=1S/C18H23NO3/c1-19(12-14-6-5-7-16(10-14)20-2)13-15-8-9-17(21-3)18(11-15)22-4/h5-11H,12-13H2,1-4H3/i11D
InChIKeyBITCHOXVWQFDBR-WORMITQPSA-N
XLogP3.34
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 62208653
2-[(3-methoxyphenyl)methyl-methylamino]-2-methylpropanenitrile
CID 115129500
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607357

Frequently Asked Questions

What is the IUPAC name of N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine (CID 101056991) is N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine is [2H]c1c(CN(C)Cc2cccc(OC)c2)ccc(OC)c1OC.
What is the InChIKey of N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is BITCHOXVWQFDBR-WORMITQPSA-N. The full InChI is InChI=1S/C18H23NO3/c1-19(12-14-6-5-7-16(10-14)20-2)13-15-8-9-17(21-3)18(11-15)22-4/h5-11H,12-13H2,1-4H3/i11D.
What are the key properties of N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine?
N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 302.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 101056991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).