N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine

C13H20ClNO — CID 115259388

IUPACN-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNCc1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C13H20ClNO/c1-6-15-7-11-10(4)12(14)8(2)9(3)13(11)16-5/h15H,6-7H2,1-5H3
InChIKeyNGCWPALGXRXSKB-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.38
Rot. Bonds4

About N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine

N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 115259388) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID115259388
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNCc1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C13H20ClNO/c1-6-15-7-11-10(4)12(14)8(2)9(3)13(11)16-5/h15H,6-7H2,1-5H3
InChIKeyNGCWPALGXRXSKB-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one
CID 115234808
2-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]acetaldehyde
CID 115223010
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 116925315
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112862
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propanenitrile
CID 116927395
1-chloro-3-(isocyanatomethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 117114761
4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
CID 117366782
2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine
CID 115259671
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]azetidine
CID 116925360
2-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methylamino]ethanol
CID 115216219
(E)-6-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-4-methylhex-4-enoic acid
CID 10566972

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine (CID 115259388) is N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine is CCNCc1c(C)c(Cl)c(C)c(C)c1OC.
What is the InChIKey of N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is NGCWPALGXRXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-6-15-7-11-10(4)12(14)8(2)9(3)13(11)16-5/h15H,6-7H2,1-5H3.
What are the key properties of N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine?
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 241.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 115259388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).