1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine

C15H25NO — CID 112513250

IUPAC1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
SMILESCCC(N)CCc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H25NO/c1-5-14(16)9-8-12-6-7-13(11(2)3)10-15(12)17-4/h6-7,10-11,14H,5,8-9,16H2,1-4H3
InChIKeyTWSGYBWYTWKQKT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.49
Rot. Bonds6

About 1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine

1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine (PubChem CID 112513250) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine.

Molecular Properties

Compound Name1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
PubChem CID112513250
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
SMILESCCC(N)CCc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H25NO/c1-5-14(16)9-8-12-6-7-13(11(2)3)10-15(12)17-4/h6-7,10-11,14H,5,8-9,16H2,1-4H3
InChIKeyTWSGYBWYTWKQKT-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
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CID 82353795
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
CID 116851139
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-N-methylethanamine
CID 115262400
2-[2-(2-methoxy-4-propan-2-ylphenyl)ethylamino]acetonitrile
CID 115131233
1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116859156
N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide
CID 110789542
2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol
CID 115120711
2-(2-methoxy-4-propan-2-ylphenyl)ethylcarbamothioic S-acid
CID 115170285
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine?
The IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine (CID 112513250) is 1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine.
What is the SMILES notation for 1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine?
The canonical SMILES for 1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine is CCC(N)CCc1ccc(C(C)C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine?
The InChIKey is TWSGYBWYTWKQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-14(16)9-8-12-6-7-13(11(2)3)10-15(12)17-4/h6-7,10-11,14H,5,8-9,16H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine?
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine is sourced from PubChem (CID 112513250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).