2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine

C15H24ClNO — CID 112519808

IUPAC2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C15H24ClNO/c1-6-15(7-2,10-17-4)12-9-13(16)11(3)8-14(12)18-5/h8-9,17H,6-7,10H2,1-5H3
InChIKeyDZMCFULRUVLSGT-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.93
Rot. Bonds6

About 2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine

2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 112519808) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID112519808
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C15H24ClNO/c1-6-15(7-2,10-17-4)12-9-13(16)11(3)8-14(12)18-5/h8-9,17H,6-7,10H2,1-5H3
InChIKeyDZMCFULRUVLSGT-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 112519809
ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 3504992
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
CID 116964692
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 94978960
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931184
2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
CID 62596783
N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
CID 62594384
N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199799
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257865
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96674694
3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135121
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine (CID 112519808) is 2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)c1cc(Cl)c(C)cc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is DZMCFULRUVLSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-6-15(7-2,10-17-4)12-9-13(16)11(3)8-14(12)18-5/h8-9,17H,6-7,10H2,1-5H3.
What are the key properties of 2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine?
2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 112519808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).