1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine

C13H20ClNO — CID 105044778

IUPAC1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)c1cc(C)cc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-9-6-11(8-12(14)7-9)13(15)10(2)4-5-16-3/h6-8,10,13H,4-5,15H2,1-3H3
InChIKeyWWOILPMYQDEEAI-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.32
Rot. Bonds5

About 1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine

1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine (PubChem CID 105044778) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine
PubChem CID105044778
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)c1cc(C)cc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-9-6-11(8-12(14)7-9)13(15)10(2)4-5-16-3/h6-8,10,13H,4-5,15H2,1-3H3
InChIKeyWWOILPMYQDEEAI-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-methylphenyl)-2-methylbutan-1-amine
CID 105017612
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831
(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 81323781
1-(4-bromo-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044722
1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine
CID 115845741
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methanamine
CID 105054719
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325
1-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-3-chloro-5-methylbenzene
CID 81324802
2-(3-chloro-5-methylphenyl)-3-methylbutan-1-amine
CID 83703370
1-(1-chloro-5-methoxy-3-methylpentan-2-yl)-3-methylbenzene
CID 116500336
1-(3-chloro-5-methylphenyl)decan-1-amine
CID 115831880
1-chloro-3-methyl-5-(7-methyloctan-4-yl)benzene
CID 145355744

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine (CID 105044778) is 1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine is COCCC(C)C(N)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine?
The InChIKey is WWOILPMYQDEEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-9-6-11(8-12(14)7-9)13(15)10(2)4-5-16-3/h6-8,10,13H,4-5,15H2,1-3H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine?
1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105044778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).