3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine

C14H23NO — CID 82266848

IUPAC3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
SMILESCc1ccc(C)c(OC(C)C)c1CCCN
InChIInChI=1S/C14H23NO/c1-10(2)16-14-12(4)8-7-11(3)13(14)6-5-9-15/h7-8,10H,5-6,9,15H2,1-4H3
InChIKeyFRVSUZGEOWVAJC-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.98
Rot. Bonds5

About 3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine

3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 82266848) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
PubChem CID82266848
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
SMILESCc1ccc(C)c(OC(C)C)c1CCCN
InChIInChI=1S/C14H23NO/c1-10(2)16-14-12(4)8-7-11(3)13(14)6-5-9-15/h7-8,10H,5-6,9,15H2,1-4H3
InChIKeyFRVSUZGEOWVAJC-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethoxy-3,6-dimethylphenyl)propan-1-amine
CID 82266889
4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine
CID 117317050
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
CID 117398109
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)ethanamine
CID 82266808
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936
3-(4-methylnaphthalen-1-yl)propan-1-amine
CID 55266988
1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene
CID 130057945
2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol
CID 117317044
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine (CID 82266848) is 3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine is Cc1ccc(C)c(OC(C)C)c1CCCN.
What is the InChIKey of 3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is FRVSUZGEOWVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)16-14-12(4)8-7-11(3)13(14)6-5-9-15/h7-8,10H,5-6,9,15H2,1-4H3.
What are the key properties of 3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine?
3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 82266848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).