1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine

C15H24ClNO — CID 170890133

IUPAC1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine
SMILESCCC(N)Cc1c(OC)c(C)cc(Cl)c1C(C)C
InChIInChI=1S/C15H24ClNO/c1-6-11(17)8-12-14(9(2)3)13(16)7-10(4)15(12)18-5/h7,9,11H,6,8,17H2,1-5H3
InChIKeyJYOMVYSTSIPVTE-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.06
Rot. Bonds5

About 1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine

1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine (PubChem CID 170890133) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine
PubChem CID170890133
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine
SMILESCCC(N)Cc1c(OC)c(C)cc(Cl)c1C(C)C
InChIInChI=1S/C15H24ClNO/c1-6-11(17)8-12-14(9(2)3)13(16)7-10(4)15(12)18-5/h7,9,11H,6,8,17H2,1-5H3
InChIKeyJYOMVYSTSIPVTE-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride
CID 170889525
1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
CID 117361507
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine
CID 82266811
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride
CID 170890086
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine
CID 83940446
1-(4-chloro-2,6-difluorophenyl)butan-2-amine
CID 130848043
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890039
1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine
CID 170890119

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine (CID 170890133) is 1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine is CCC(N)Cc1c(OC)c(C)cc(Cl)c1C(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine?
The InChIKey is JYOMVYSTSIPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-6-11(17)8-12-14(9(2)3)13(16)7-10(4)15(12)18-5/h7,9,11H,6,8,17H2,1-5H3.
What are the key properties of 1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine?
1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine is sourced from PubChem (CID 170890133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).