N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine

C18H22ClN — CID 107102860

IUPACN-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1cccc(Cl)c1C
InChIInChI=1S/C18H22ClN/c1-4-14-8-6-9-15(12-14)18(20-5-2)16-10-7-11-17(19)13(16)3/h6-12,18,20H,4-5H2,1-3H3
InChIKeySKZMMSRUNBYRKI-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.91
Rot. Bonds5

About N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine

N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine (PubChem CID 107102860) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
PubChem CID107102860
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1cccc(Cl)c1C
InChIInChI=1S/C18H22ClN/c1-4-14-8-6-9-15(12-14)18(20-5-2)16-10-7-11-17(19)13(16)3/h6-12,18,20H,4-5H2,1-3H3
InChIKeySKZMMSRUNBYRKI-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018508
N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107994577
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018537
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
CID 107103191
N-[(3-ethyl-6-methylpyridazin-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105171145
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
1-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018436
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
N-[(3-chloro-2-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 107102020

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine (CID 107102860) is N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine is CCNC(c1cccc(CC)c1)c1cccc(Cl)c1C.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine?
The InChIKey is SKZMMSRUNBYRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-4-14-8-6-9-15(12-14)18(20-5-2)16-10-7-11-17(19)13(16)3/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine?
N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107102860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).