N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine

C16H17Cl2NO2 — CID 29224259

IUPACN-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc(Cl)c(OC)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO2/c1-20-13-5-3-11(4-6-13)9-19-10-12-7-14(17)16(21-2)15(18)8-12/h3-8,19H,9-10H2,1-2H3
InChIKeyFMKNYJVBUMHYSZ-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.30
Rot. Bonds6

About N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine

N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 29224259) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID29224259
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC NameN-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc(Cl)c(OC)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO2/c1-20-13-5-3-11(4-6-13)9-19-10-12-7-14(17)16(21-2)15(18)8-12/h3-8,19H,9-10H2,1-2H3
InChIKeyFMKNYJVBUMHYSZ-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332647
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332519
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332699
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine (CID 29224259) is N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2cc(Cl)c(OC)c(Cl)c2)cc1.
What is the InChIKey of N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is FMKNYJVBUMHYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-20-13-5-3-11(4-6-13)9-19-10-12-7-14(17)16(21-2)15(18)8-12/h3-8,19H,9-10H2,1-2H3.
What are the key properties of N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 326.22 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 29224259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).