N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine

C18H21Cl2N — CID 82870807

IUPACN-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1C)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C18H21Cl2N/c1-5-21-18(16-10-14(19)7-6-11(16)2)15-8-13(4)17(20)9-12(15)3/h6-10,18,21H,5H2,1-4H3
InChIKeyHIWJSWVBFNKLDU-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.62
Rot. Bonds4

About N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine

N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine (PubChem CID 82870807) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
PubChem CID82870807
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC NameN-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1C)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C18H21Cl2N/c1-5-21-18(16-10-14(19)7-6-11(16)2)15-8-13(4)17(20)9-12(15)3/h6-10,18,21H,5H2,1-4H3
InChIKeyHIWJSWVBFNKLDU-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(4-chloro-2,5-dimethylphenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 81267229
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 82883211
N-[(4-chloro-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 105040874
N-[(5-chloro-2-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 82883059
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
CID 107950635

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine (CID 82870807) is N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1C)c1cc(C)c(Cl)cc1C.
What is the InChIKey of N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine?
The InChIKey is HIWJSWVBFNKLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-5-21-18(16-10-14(19)7-6-11(16)2)15-8-13(4)17(20)9-12(15)3/h6-10,18,21H,5H2,1-4H3.
What are the key properties of N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine?
N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine has a molecular weight of 322.28 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 82870807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).