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

C15H24ClNO — CID 112519809

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)c1cc(Cl)c(OC)cc1C
InChIInChI=1S/C15H24ClNO/c1-6-15(7-2,10-17-4)12-9-13(16)14(18-5)8-11(12)3/h8-9,17H,6-7,10H2,1-5H3
InChIKeyYVQKRJJEADOFAP-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.93
Rot. Bonds6

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

2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 112519809) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID112519809
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)c1cc(Cl)c(OC)cc1C
InChIInChI=1S/C15H24ClNO/c1-6-15(7-2,10-17-4)12-9-13(16)14(18-5)8-11(12)3/h8-9,17H,6-7,10H2,1-5H3
InChIKeyYVQKRJJEADOFAP-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-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 112519808
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine
CID 116838545
2-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylpropan-2-amine
CID 82293239
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 94978960
N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine
CID 115226674
N'-(5-chloro-4-methoxy-2-methylphenyl)-N-methylpropane-1,3-diamine
CID 115197672
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
1-chloro-5-iodo-2-methoxy-4-methylbenzene
CID 70931532
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine (CID 112519809) is 2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)c1cc(Cl)c(OC)cc1C.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is YVQKRJJEADOFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-6-15(7-2,10-17-4)12-9-13(16)14(18-5)8-11(12)3/h8-9,17H,6-7,10H2,1-5H3.
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine?
2-(5-chloro-4-methoxy-2-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-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 112519809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).