4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine

C18H31NO2 — CID 65301015

IUPAC4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine
SMILESCCCOc1ccc(CCC(C)(C)CN)cc1OCCC
InChIInChI=1S/C18H31NO2/c1-5-11-20-16-8-7-15(9-10-18(3,4)14-19)13-17(16)21-12-6-2/h7-8,13H,5-6,9-12,14,19H2,1-4H3
InChIKeyXNOGWRWTALLNSH-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.18
Rot. Bonds10

About 4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine

4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine (PubChem CID 65301015) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine
PubChem CID65301015
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine
SMILESCCCOc1ccc(CCC(C)(C)CN)cc1OCCC
InChIInChI=1S/C18H31NO2/c1-5-11-20-16-8-7-15(9-10-18(3,4)14-19)13-17(16)21-12-6-2/h7-8,13H,5-6,9-12,14,19H2,1-4H3
InChIKeyXNOGWRWTALLNSH-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromo-4-propoxyphenyl)-3,3-dimethylpentan-1-amine
CID 104662970
2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
CID 61481236
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
4-hex-3-ynyl-1,2-dipropoxybenzene
CID 83932024
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431
4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
CID 134479395
5-(3,4-dipropoxyphenyl)pentane-2,3-diol
CID 83932064
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83934434
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline
CID 83961553

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine (CID 65301015) is 4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine is CCCOc1ccc(CCC(C)(C)CN)cc1OCCC.
What is the InChIKey of 4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine?
The InChIKey is XNOGWRWTALLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-11-20-16-8-7-15(9-10-18(3,4)14-19)13-17(16)21-12-6-2/h7-8,13H,5-6,9-12,14,19H2,1-4H3.
What are the key properties of 4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine?
4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65301015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).