4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine

C15H24ClN — CID 106869681

IUPAC4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCc1ccc(CC(C)C(C)NC(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClN/c1-10(2)17-13(5)12(4)9-14-7-6-11(3)8-15(14)16/h6-8,10,12-13,17H,9H2,1-5H3
InChIKeySBIAUTDCMHIIRP-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.21
Rot. Bonds5

About 4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine

4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 106869681) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine
PubChem CID106869681
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCc1ccc(CC(C)C(C)NC(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClN/c1-10(2)17-13(5)12(4)9-14-7-6-11(3)8-15(14)16/h6-8,10,12-13,17H,9H2,1-5H3
InChIKeySBIAUTDCMHIIRP-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine
CID 103049865
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 106869442
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
CID 106866972
3-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 106865003

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of 4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine (CID 106869681) is 4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine is Cc1ccc(CC(C)C(C)NC(C)C)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is SBIAUTDCMHIIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-10(2)17-13(5)12(4)9-14-7-6-11(3)8-15(14)16/h6-8,10,12-13,17H,9H2,1-5H3.
What are the key properties of 4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine?
4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 253.82 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 106869681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).