1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine

C16H18ClNO — CID 60864424

IUPAC1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-3-19-15-6-4-5-13(11-15)16(18-2)12-7-9-14(17)10-8-12/h4-11,16,18H,3H2,1-2H3
InChIKeyDNMALRNTGQVRQQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine

1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine (PubChem CID 60864424) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
PubChem CID60864424
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-3-19-15-6-4-5-13(11-15)16(18-2)12-7-9-14(17)10-8-12/h4-11,16,18H,3H2,1-2H3
InChIKeyDNMALRNTGQVRQQ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022189
[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105328002
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 60818609
1-(3-ethoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022424
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022348
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine (CID 60864424) is 1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine is CCOc1cccc(C(NC)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is DNMALRNTGQVRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-19-15-6-4-5-13(11-15)16(18-2)12-7-9-14(17)10-8-12/h4-11,16,18H,3H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 60864424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).