5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine

C16H27NO — CID 65092154

IUPAC5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
SMILESCNC(CCCOC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-13(2)15-9-7-14(8-10-15)12-16(17-3)6-5-11-18-4/h7-10,13,16-17H,5-6,11-12H2,1-4H3
InChIKeyIDUPDDFXCHEEGX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.37
Rot. Bonds8

About 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine

5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine (PubChem CID 65092154) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
PubChem CID65092154
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
SMILESCNC(CCCOC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-13(2)15-9-7-14(8-10-15)12-16(17-3)6-5-11-18-4/h7-10,13,16-17H,5-6,11-12H2,1-4H3
InChIKeyIDUPDDFXCHEEGX-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.37
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

5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 62603606
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine
CID 105137006
[1-methoxy-3-(4-propan-2-ylphenyl)propan-2-yl]hydrazine
CID 105207084
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
N-ethyl-1-(4-ethylphenyl)-5-methoxypentan-2-amine
CID 65091874
4-[5-methoxy-2-(methylamino)pentyl]pyridin-2-amine
CID 65091866
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732
5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 65092092
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
5-ethoxy-N-methyl-1-phenylpentan-2-amine
CID 105084642
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine (CID 65092154) is 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine is CNC(CCCOC)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
The InChIKey is IDUPDDFXCHEEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)15-9-7-14(8-10-15)12-16(17-3)6-5-11-18-4/h7-10,13,16-17H,5-6,11-12H2,1-4H3.
What are the key properties of 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine is sourced from PubChem (CID 65092154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).