N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine

C17H19Cl2NO — CID 81315754

IUPACN-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-4-20-17(13-7-11(2)8-14(18)9-13)12-5-6-16(21-3)15(19)10-12/h5-10,17,20H,4H2,1-3H3
InChIKeyBIKKRLALEHFTBV-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.01
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine

N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine (PubChem CID 81315754) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
PubChem CID81315754
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-4-20-17(13-7-11(2)8-14(18)9-13)12-5-6-16(21-3)15(19)10-12/h5-10,17,20H,4H2,1-3H3
InChIKeyBIKKRLALEHFTBV-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81316265
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461
N-[(3-chloro-4-methoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 65152874
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
1-(3-chloro-5-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 81315877
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(3-chloro-4-methoxyphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79802713
N-[(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methyl]ethanamine
CID 104851189
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine (CID 81315754) is N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(Cl)c1)c1ccc(OC)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine?
The InChIKey is BIKKRLALEHFTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-4-20-17(13-7-11(2)8-14(18)9-13)12-5-6-16(21-3)15(19)10-12/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine?
N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine has a molecular weight of 324.25 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81315754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).