4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine

C15H25NO — CID 64664350

IUPAC4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)CCc1ccccc1OC
InChIInChI=1S/C15H25NO/c1-4-11-16-12-13(2)9-10-14-7-5-6-8-15(14)17-3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyHGSQSUVOIHYIBX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds8

About 4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine

4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine (PubChem CID 64664350) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
PubChem CID64664350
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)CCc1ccccc1OC
InChIInChI=1S/C15H25NO/c1-4-11-16-12-13(2)9-10-14-7-5-6-8-15(14)17-3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyHGSQSUVOIHYIBX-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.26
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

1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 62437342
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64664987
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
(2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine
CID 150211200
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 82933866
1-(3-methylhexyl)-2-[2-(3-methylhexyl)phenoxy]benzene
CID 70615491
5-(2-methoxyphenyl)pentane-2,3-diol
CID 83929090
4-(2-methoxyphenyl)-1-(methylamino)butan-2-ol
CID 112517754

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine (CID 64664350) is 4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine is CCCNCC(C)CCc1ccccc1OC.
What is the InChIKey of 4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is HGSQSUVOIHYIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-11-16-12-13(2)9-10-14-7-5-6-8-15(14)17-3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine?
4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 64664350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).