1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine

C16H17Cl2NO — CID 61270632

IUPAC1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-3-20-15-7-5-4-6-13(15)16(19-2)12-9-8-11(17)10-14(12)18/h4-10,16,19H,3H2,1-2H3
InChIKeyMCAAJSRWEZFWMS-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.70
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine

1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine (PubChem CID 61270632) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
PubChem CID61270632
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-3-20-15-7-5-4-6-13(15)16(19-2)12-9-8-11(17)10-14(12)18/h4-10,16,19H,3H2,1-2H3
InChIKeyMCAAJSRWEZFWMS-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853667
1-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 105145038
1-(2,4-dichlorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 61270437
1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 43480963
1-(2-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789858
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 82803167
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-(5-bromo-2-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43487331
1-(2-ethoxyphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65298862
2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43126451
1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 115604968

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine (CID 61270632) is 1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine is CCOc1ccccc1C(NC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is MCAAJSRWEZFWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-20-15-7-5-4-6-13(15)16(19-2)12-9-8-11(17)10-14(12)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 61270632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).