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

C17H20ClN — CID 82884123

IUPACN-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C17H20ClN/c1-4-19-17(14-8-5-12(2)6-9-14)16-11-15(18)10-7-13(16)3/h5-11,17,19H,4H2,1-3H3
InChIKeyMSBMMECLOFSZFW-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.66
Rot. Bonds4

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

N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 82884123) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
PubChem CID82884123
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C17H20ClN/c1-4-19-17(14-8-5-12(2)6-9-14)16-11-15(18)10-7-13(16)3/h5-11,17,19H,4H2,1-3H3
InChIKeyMSBMMECLOFSZFW-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.66
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]propan-1-amine
CID 82883365
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 82870807
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488838
N-[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 82871484
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine (CID 82884123) is N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)c1cc(Cl)ccc1C.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is MSBMMECLOFSZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-4-19-17(14-8-5-12(2)6-9-14)16-11-15(18)10-7-13(16)3/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine?
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 82884123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).