N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine

C15H25NO — CID 60690317

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine
SMILESCc1ccc(C)c(OCCNC(C)C(C)C)c1
InChIInChI=1S/C15H25NO/c1-11(2)14(5)16-8-9-17-15-10-12(3)6-7-13(15)4/h6-7,10-11,14,16H,8-9H2,1-5H3
InChIKeySVVPEGPEGKBGMO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine

N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine (PubChem CID 60690317) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine
PubChem CID60690317
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine
SMILESCc1ccc(C)c(OCCNC(C)C(C)C)c1
InChIInChI=1S/C15H25NO/c1-11(2)14(5)16-8-9-17-15-10-12(3)6-7-13(15)4/h6-7,10-11,14,16H,8-9H2,1-5H3
InChIKeySVVPEGPEGKBGMO-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylbutan-2-amine
CID 60690280
N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)ethyl]-3-methylbutan-2-amine
CID 63517874
N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796581
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(3-methylbutyl)urea
CID 112973500
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
1,4-dimethyl-2-pentoxybenzene
CID 59184214
1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
CID 79023730
1,4-dimethyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732643
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852
(2R)-N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine
CID 2183230

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine (CID 60690317) is N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine is Cc1ccc(C)c(OCCNC(C)C(C)C)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine?
The InChIKey is SVVPEGPEGKBGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)14(5)16-8-9-17-15-10-12(3)6-7-13(15)4/h6-7,10-11,14,16H,8-9H2,1-5H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine?
N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 60690317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).