1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine

C18H23NO — CID 105022424

IUPAC1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2ccccc2CC)c1
InChIInChI=1S/C18H23NO/c1-4-14-9-6-7-12-17(14)18(19-3)15-10-8-11-16(13-15)20-5-2/h6-13,18-19H,4-5H2,1-3H3
InChIKeySZVAJSQTNMJBPN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.96
Rot. Bonds6

About 1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine

1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine (PubChem CID 105022424) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
PubChem CID105022424
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2ccccc2CC)c1
InChIInChI=1S/C18H23NO/c1-4-14-9-6-7-12-17(14)18(19-3)15-10-8-11-16(13-15)20-5-2/h6-13,18-19H,4-5H2,1-3H3
InChIKeySZVAJSQTNMJBPN-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
1-(2-bromo-4-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022239
1-(2,6-dimethyl-3-pyridinyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173207
1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022211
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62790676
1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 115799898
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
1-(4-bromo-2-methoxyphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022233
1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine (CID 105022424) is 1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine is CCOc1cccc(C(NC)c2ccccc2CC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The InChIKey is SZVAJSQTNMJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-14-9-6-7-12-17(14)18(19-3)15-10-8-11-16(13-15)20-5-2/h6-13,18-19H,4-5H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105022424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).