2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine

C15H25NO — CID 115002182

IUPAC2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine
SMILESCc1ccc(C(C)(N)CCOC(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-11(2)17-9-8-15(5,16)14-7-6-12(3)13(4)10-14/h6-7,10-11H,8-9,16H2,1-5H3
InChIKeyNSTVOLRNXAQQPM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.29
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine

2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine (PubChem CID 115002182) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine
PubChem CID115002182
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine
SMILESCc1ccc(C(C)(N)CCOC(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-11(2)17-9-8-15(5,16)14-7-6-12(3)13(4)10-14/h6-7,10-11H,8-9,16H2,1-5H3
InChIKeyNSTVOLRNXAQQPM-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3,4-dimethylphenyl)butan-1-ol
CID 65239742
2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine
CID 107128253
4-methoxy-2-(4-propan-2-yloxyphenyl)butan-2-amine
CID 62795409
3-(3,4-dimethylphenyl)-2-methylpentan-3-amine
CID 62550637
4-(3-methylbutoxy)-2-(3-methylphenyl)butan-2-amine
CID 55096441
4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol
CID 116861674
1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 105403015
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 63411763
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
1,2-dimethyl-4-[2-(2-propan-2-yloxyethoxy)ethylsulfanyl]benzene
CID 142858731
2-propan-2-yloxyethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 78830378
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine (CID 115002182) is 2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine is Cc1ccc(C(C)(N)CCOC(C)C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine?
The InChIKey is NSTVOLRNXAQQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)17-9-8-15(5,16)14-7-6-12(3)13(4)10-14/h6-7,10-11H,8-9,16H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine?
2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 115002182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).