N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine

C19H24ClNO4 — CID 54855853

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1cccc(CNCc2cc(OC)c(OC)cc2Cl)c1
InChIInChI=1S/C19H24ClNO4/c1-22-7-8-25-16-6-4-5-14(9-16)12-21-13-15-10-18(23-2)19(24-3)11-17(15)20/h4-6,9-11,21H,7-8,12-13H2,1-3H3
InChIKeyLHQKOGQKUPBJHV-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.67
Rot. Bonds10

About N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine (PubChem CID 54855853) has the molecular formula C19H24ClNO4 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine
PubChem CID54855853
Molecular FormulaC19H24ClNO4
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1cccc(CNCc2cc(OC)c(OC)cc2Cl)c1
InChIInChI=1S/C19H24ClNO4/c1-22-7-8-25-16-6-4-5-14(9-16)12-21-13-15-10-18(23-2)19(24-3)11-17(15)20/h4-6,9-11,21H,7-8,12-13H2,1-3H3
InChIKeyLHQKOGQKUPBJHV-UHFFFAOYSA-N
XLogP3.67
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54855852
1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803561
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54855342
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 54855533
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 66529102
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide
CID 54785354
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-phenylmethoxyphenyl)methanamine
CID 54855813
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine
CID 66529232
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine (CID 54855853) is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine is COCCOc1cccc(CNCc2cc(OC)c(OC)cc2Cl)c1.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine?
The InChIKey is LHQKOGQKUPBJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO4/c1-22-7-8-25-16-6-4-5-14(9-16)12-21-13-15-10-18(23-2)19(24-3)11-17(15)20/h4-6,9-11,21H,7-8,12-13H2,1-3H3.
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine?
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine has a molecular weight of 365.86 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 54855853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).