N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine

C19H24ClNO3 — CID 54855520

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine
SMILESCOc1cc(Cl)c(CNCC(C)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C19H24ClNO3/c1-13-6-5-7-16(8-13)24-14(2)11-21-12-15-9-18(22-3)19(23-4)10-17(15)20/h5-10,14,21H,11-12H2,1-4H3
InChIKeyRLNDVQJJSPAPHF-UHFFFAOYSA-N
MW349.86 g/mol
LogP4.22
Rot. Bonds8

About N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine (PubChem CID 54855520) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine
PubChem CID54855520
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine
SMILESCOc1cc(Cl)c(CNCC(C)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C19H24ClNO3/c1-13-6-5-7-16(8-13)24-14(2)11-21-12-15-9-18(22-3)19(23-4)10-17(15)20/h5-10,14,21H,11-12H2,1-4H3
InChIKeyRLNDVQJJSPAPHF-UHFFFAOYSA-N
XLogP4.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine
CID 54855853
1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 66532396
N-[[2-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]prop-2-en-1-amine
CID 66529796
2-methyl-1-[2-(3-methylphenoxy)propyl]-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 111685798
N-benzyl-2-(3-chlorophenoxy)propan-1-amine
CID 55053571
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[2-(2-methylpropoxy)phenyl]methanamine
CID 54855372
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 66530881
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54785489
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530984
2-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylamino]ethanol
CID 66525624
N-[[2-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-thiophen-2-ylmethanamine
CID 66529750
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine
CID 54803306

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine (CID 54855520) is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine is COc1cc(Cl)c(CNCC(C)Oc2cccc(C)c2)cc1OC.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine?
The InChIKey is RLNDVQJJSPAPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-13-6-5-7-16(8-13)24-14(2)11-21-12-15-9-18(22-3)19(23-4)10-17(15)20/h5-10,14,21H,11-12H2,1-4H3.
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine?
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine has a molecular weight of 349.86 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine is sourced from PubChem (CID 54855520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).