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

C13H20ClNO — CID 116964692

IUPAC2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C13H20ClNO/c1-5-10(8-15-3)11-7-12(14)9(2)6-13(11)16-4/h6-7,10,15H,5,8H2,1-4H3
InChIKeyMVEOMPWPKBGUKN-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.37
Rot. Bonds5

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

2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine (PubChem CID 116964692) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
PubChem CID116964692
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C13H20ClNO/c1-5-10(8-15-3)11-7-12(14)9(2)6-13(11)16-4/h6-7,10,15H,5,8H2,1-4H3
InChIKeyMVEOMPWPKBGUKN-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
CID 83937477
1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine
CID 116961483
2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 116964713
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
CID 116964709
2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
CID 112508260
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
1-(5-chloro-2-methoxy-4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935045
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 116863542

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine (CID 116964692) is 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine is CCC(CNC)c1cc(Cl)c(C)cc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine?
The InChIKey is MVEOMPWPKBGUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-10(8-15-3)11-7-12(14)9(2)6-13(11)16-4/h6-7,10,15H,5,8H2,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine?
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.37, 5 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)-N-methylbutan-1-amine is sourced from PubChem (CID 116964692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).