N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine

C13H21NO — CID 61035897

IUPACN-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
SMILESCNCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C13H21NO/c1-10(2)12-6-5-11(3)13(9-12)15-8-7-14-4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyKAYYQJQTDKZPIE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.72
Rot. Bonds5

About N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine

N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine (PubChem CID 61035897) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
PubChem CID61035897
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
SMILESCNCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C13H21NO/c1-10(2)12-6-5-11(3)13(9-12)15-8-7-14-4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyKAYYQJQTDKZPIE-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.72
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

N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 63497734
N-methyl-1-[4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552391
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
2-[4-(difluoromethyl)-2-methylphenoxy]-N-methylethanamine;fluoromethane
CID 142886574
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
2-(methylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 55145298
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63515590
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine?
The IUPAC name of N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine (CID 61035897) is N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine is CNCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine?
The InChIKey is KAYYQJQTDKZPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)12-6-5-11(3)13(9-12)15-8-7-14-4/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine?
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 61035897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).