1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine

C18H31NO2 — CID 165123636

IUPAC1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
SMILESCCCCCCc1cc(OC)c(CC(N)CC)cc1OC
InChIInChI=1S/C18H31NO2/c1-5-7-8-9-10-14-12-18(21-4)15(11-16(19)6-2)13-17(14)20-3/h12-13,16H,5-11,19H2,1-4H3
InChIKeyYJPHCJMTAJQZBA-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.11
Rot. Bonds10

About 1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine

1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine (PubChem CID 165123636) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
PubChem CID165123636
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
SMILESCCCCCCc1cc(OC)c(CC(N)CC)cc1OC
InChIInChI=1S/C18H31NO2/c1-5-7-8-9-10-14-12-18(21-4)15(11-16(19)6-2)13-17(14)20-3/h12-13,16H,5-11,19H2,1-4H3
InChIKeyYJPHCJMTAJQZBA-UHFFFAOYSA-N
XLogP4.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
1-[4-(3,3-difluorobutyl)-2,5-dimethoxyphenyl]butan-2-amine
CID 176553694
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine
CID 167243568
1-[2,5-dimethoxy-4-(11-propoxyundecyl)phenyl]propan-2-amine;1-(2-propoxyethoxy)propane
CID 142098543
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
CID 170890550

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine?
The IUPAC name of 1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine (CID 165123636) is 1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine is CCCCCCc1cc(OC)c(CC(N)CC)cc1OC.
What is the InChIKey of 1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine?
The InChIKey is YJPHCJMTAJQZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-7-8-9-10-14-12-18(21-4)15(11-16(19)6-2)13-17(14)20-3/h12-13,16H,5-11,19H2,1-4H3.
What are the key properties of 1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine?
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine is sourced from PubChem (CID 165123636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).