2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine

C18H23NO2 — CID 18986890

IUPAC2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(CCN(C)C)cc1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-19(2)12-11-15-9-10-17(20-3)18(13-15)21-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3
InChIKeySSMGTPSEVWKOCP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.38
Rot. Bonds7

About 2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine

2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine (PubChem CID 18986890) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
PubChem CID18986890
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(CCN(C)C)cc1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-19(2)12-11-15-9-10-17(20-3)18(13-15)21-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3
InChIKeySSMGTPSEVWKOCP-UHFFFAOYSA-N
XLogP3.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866274
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718175
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
N-[2-[3-methoxy-4,5-bis(phenylmethoxy)phenyl]ethyl]-2-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 45047916
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine (CID 18986890) is 2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine is COc1ccc(CCN(C)C)cc1OCc1ccccc1.
What is the InChIKey of 2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine?
The InChIKey is SSMGTPSEVWKOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(2)12-11-15-9-10-17(20-3)18(13-15)21-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine?
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 18986890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).