1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine

C15H25NO — CID 117343720

IUPAC1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
SMILESCCC(CC)c1ccc(OC)c(CC(C)N)c1
InChIInChI=1S/C15H25NO/c1-5-12(6-2)13-7-8-15(17-4)14(10-13)9-11(3)16/h7-8,10-12H,5-6,9,16H2,1-4H3
InChIKeyNRAXFXTVYSDQAP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.49
Rot. Bonds6

About 1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine

1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine (PubChem CID 117343720) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
PubChem CID117343720
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
SMILESCCC(CC)c1ccc(OC)c(CC(C)N)c1
InChIInChI=1S/C15H25NO/c1-5-12(6-2)13-7-8-15(17-4)14(10-13)9-11(3)16/h7-8,10-12H,5-6,9,16H2,1-4H3
InChIKeyNRAXFXTVYSDQAP-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

1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
3-(2-aminopropyl)-4-methoxybenzenesulfonamide
CID 67643235
1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
CID 170891440
1-(3-ethyl-4-methoxyphenyl)butane-1,3-diamine
CID 116933248
3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
CID 117379450
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
CID 165123611
1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine
CID 82353795
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461403
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine?
The IUPAC name of 1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine (CID 117343720) is 1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine is CCC(CC)c1ccc(OC)c(CC(C)N)c1.
What is the InChIKey of 1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine?
The InChIKey is NRAXFXTVYSDQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12(6-2)13-7-8-15(17-4)14(10-13)9-11(3)16/h7-8,10-12H,5-6,9,16H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine?
1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-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-5-pentan-3-ylphenyl)propan-2-amine is sourced from PubChem (CID 117343720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).