N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine

C20H26ClNO3 — CID 66530984

IUPACN-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cc(OC)c(OC(C)C)cc1Cl
InChIInChI=1S/C20H26ClNO3/c1-14(2)25-20-12-17(21)16(11-19(20)24-4)13-22-10-9-15-7-5-6-8-18(15)23-3/h5-8,11-12,14,22H,9-10,13H2,1-4H3
InChIKeyBRVYPPAKFHGPJM-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.48
Rot. Bonds9

About N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine

N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 66530984) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
PubChem CID66530984
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC NameN-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cc(OC)c(OC(C)C)cc1Cl
InChIInChI=1S/C20H26ClNO3/c1-14(2)25-20-12-17(21)16(11-19(20)24-4)13-22-10-9-15-7-5-6-8-18(15)23-3/h5-8,11-12,14,22H,9-10,13H2,1-4H3
InChIKeyBRVYPPAKFHGPJM-UHFFFAOYSA-N
XLogP4.48
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 66530881
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530888
2-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylamino]ethanol
CID 66525624
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]pentan-1-amine
CID 66530852
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenylethanamine
CID 2200147
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535631
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[2-(2-methylpropoxy)phenyl]methanamine
CID 54855372
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 66534294
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207350
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66537459

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine (CID 66530984) is N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CCNCc1cc(OC)c(OC(C)C)cc1Cl.
What is the InChIKey of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is BRVYPPAKFHGPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO3/c1-14(2)25-20-12-17(21)16(11-19(20)24-4)13-22-10-9-15-7-5-6-8-18(15)23-3/h5-8,11-12,14,22H,9-10,13H2,1-4H3.
What are the key properties of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine has a molecular weight of 363.89 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 66530984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).