N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

C16H17Cl2NO — CID 61003276

IUPACN-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H17Cl2NO/c1-20-11-13-4-2-3-12(5-13)9-19-10-14-6-15(17)8-16(18)7-14/h2-8,19H,9-11H2,1H3
InChIKeyAFNVNCZWBBRZRX-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.43
Rot. Bonds6

About N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (PubChem CID 61003276) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
PubChem CID61003276
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H17Cl2NO/c1-20-11-13-4-2-3-12(5-13)9-19-10-14-6-15(17)8-16(18)7-14/h2-8,19H,9-11H2,1H3
InChIKeyAFNVNCZWBBRZRX-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60976282
N-[(4-bromo-3-chlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103581569
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 54898237
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 78902256
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61003267
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
CID 66417473
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62347076

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (CID 61003276) is N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is COCc1cccc(CNCc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The InChIKey is AFNVNCZWBBRZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-20-11-13-4-2-3-12(5-13)9-19-10-14-6-15(17)8-16(18)7-14/h2-8,19H,9-11H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine has a molecular weight of 310.22 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 61003276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).