1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine

C18H23NO — CID 52935326

IUPAC1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCCc1ccccc1OCc1cccc(CN(C)C)c1
InChIInChI=1S/C18H23NO/c1-4-17-10-5-6-11-18(17)20-14-16-9-7-8-15(12-16)13-19(2)3/h5-12H,4,13-14H2,1-3H3
InChIKeyXIJGGJOQMQDUFM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.89
Rot. Bonds6

About 1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine

1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 52935326) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine
PubChem CID52935326
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCCc1ccccc1OCc1cccc(CN(C)C)c1
InChIInChI=1S/C18H23NO/c1-4-17-10-5-6-11-18(17)20-14-16-9-7-8-15(12-16)13-19(2)3/h5-12H,4,13-14H2,1-3H3
InChIKeyXIJGGJOQMQDUFM-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
3-[(2-ethylphenoxy)methyl]benzonitrile
CID 39158687
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
2-bromo-5-[(2-ethylphenoxy)methyl]aniline
CID 115557510
1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
CID 60627116
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
[4-[(2-ethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62466463
N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine
CID 177382829
2,3-bis[(2-ethylphenoxy)methyl]phenol
CID 67177980
1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine
CID 177043026
4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine (CID 52935326) is 1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine is CCc1ccccc1OCc1cccc(CN(C)C)c1.
What is the InChIKey of 1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is XIJGGJOQMQDUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-17-10-5-6-11-18(17)20-14-16-9-7-8-15(12-16)13-19(2)3/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine?
1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 52935326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).