1-(2,4-dipropoxyphenyl)butan-1-amine

C16H27NO2 — CID 82551376

IUPAC1-(2,4-dipropoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(C(N)CCC)c(OCCC)c1
InChIInChI=1S/C16H27NO2/c1-4-7-15(17)14-9-8-13(18-10-5-2)12-16(14)19-11-6-3/h8-9,12,15H,4-7,10-11,17H2,1-3H3
InChIKeyFAUHMAQXFQPVLJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.06
Rot. Bonds9

About 1-(2,4-dipropoxyphenyl)butan-1-amine

1-(2,4-dipropoxyphenyl)butan-1-amine (PubChem CID 82551376) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2,4-dipropoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name1-(2,4-dipropoxyphenyl)butan-1-amine
PubChem CID82551376
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2,4-dipropoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(C(N)CCC)c(OCCC)c1
InChIInChI=1S/C16H27NO2/c1-4-7-15(17)14-9-8-13(18-10-5-2)12-16(14)19-11-6-3/h8-9,12,15H,4-7,10-11,17H2,1-3H3
InChIKeyFAUHMAQXFQPVLJ-UHFFFAOYSA-N
XLogP4.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-propoxyphenyl)butan-1-amine
CID 83988799
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
2-ethoxy-4-propoxyaniline
CID 63677806
(5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid
CID 165348822
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82551989
1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
CID 62802951
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dipropoxyphenyl)butan-1-amine?
The IUPAC name of 1-(2,4-dipropoxyphenyl)butan-1-amine (CID 82551376) is 1-(2,4-dipropoxyphenyl)butan-1-amine.
What is the SMILES notation for 1-(2,4-dipropoxyphenyl)butan-1-amine?
The canonical SMILES for 1-(2,4-dipropoxyphenyl)butan-1-amine is CCCOc1ccc(C(N)CCC)c(OCCC)c1.
What is the InChIKey of 1-(2,4-dipropoxyphenyl)butan-1-amine?
The InChIKey is FAUHMAQXFQPVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-7-15(17)14-9-8-13(18-10-5-2)12-16(14)19-11-6-3/h8-9,12,15H,4-7,10-11,17H2,1-3H3.
What are the key properties of 1-(2,4-dipropoxyphenyl)butan-1-amine?
1-(2,4-dipropoxyphenyl)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dipropoxyphenyl)butan-1-amine is sourced from PubChem (CID 82551376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).