N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine

C15H24ClNO — CID 116925315

IUPACN-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1CCNC(C)C
InChIInChI=1S/C15H24ClNO/c1-9(2)17-8-7-13-12(5)14(16)10(3)11(4)15(13)18-6/h9,17H,7-8H2,1-6H3
InChIKeyZKCAZGASKDUDAP-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.81
Rot. Bonds5

About N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine

N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine (PubChem CID 116925315) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine
PubChem CID116925315
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine
SMILESCOc1c(C)c(C)c(Cl)c(C)c1CCNC(C)C
InChIInChI=1S/C15H24ClNO/c1-9(2)17-8-7-13-12(5)14(16)10(3)11(4)15(13)18-6/h9,17H,7-8H2,1-6H3
InChIKeyZKCAZGASKDUDAP-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propanenitrile
CID 116927395
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine
CID 115259671
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
2-[2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)ethylamino]propanenitrile
CID 115130465
1-chloro-3-(isocyanatomethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 117114761
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112862
2-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]acetaldehyde
CID 115223010
1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one
CID 115234808
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]azetidine
CID 116925360
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-(chloromethyl)ethanamine
CID 115263438

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine (CID 116925315) is N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine is COc1c(C)c(C)c(Cl)c(C)c1CCNC(C)C.
What is the InChIKey of N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine?
The InChIKey is ZKCAZGASKDUDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-9(2)17-8-7-13-12(5)14(16)10(3)11(4)15(13)18-6/h9,17H,7-8H2,1-6H3.
What are the key properties of N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine?
N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 116925315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).