2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine

C18H32N2O — CID 83934434

IUPAC2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
SMILESCCCOc1ccc(CCC(CN)CN)cc1C(C)(C)C
InChIInChI=1S/C18H32N2O/c1-5-10-21-17-9-8-14(6-7-15(12-19)13-20)11-16(17)18(2,3)4/h8-9,11,15H,5-7,10,12-13,19-20H2,1-4H3
InChIKeySYFGWIJETBBUKS-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.24
Rot. Bonds8

About 2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine

2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine (PubChem CID 83934434) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
PubChem CID83934434
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
SMILESCCCOc1ccc(CCC(CN)CN)cc1C(C)(C)C
InChIInChI=1S/C18H32N2O/c1-5-10-21-17-9-8-14(6-7-15(12-19)13-20)11-16(17)18(2,3)4/h8-9,11,15H,5-7,10,12-13,19-20H2,1-4H3
InChIKeySYFGWIJETBBUKS-UHFFFAOYSA-N
XLogP3.24
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-(3-chloropropyl)-1-propoxybenzene
CID 83934424
2-(2-tert-butyl-4-propylphenoxy)ethanol
CID 146523971
4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol
CID 83934397
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
4-bromo-2-tert-butyl-1-propoxybenzene
CID 22619457
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20984719
4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole
CID 112718830
6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
CID 83934351
2-[2-(3-propan-2-yl-4-propoxyphenyl)ethyl]propane-1,3-diol
CID 83935115
2-[1-(3-tert-butyl-4-propoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83934518
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol
CID 90210106

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine (CID 83934434) is 2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine is CCCOc1ccc(CCC(CN)CN)cc1C(C)(C)C.
What is the InChIKey of 2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine?
The InChIKey is SYFGWIJETBBUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-10-21-17-9-8-14(6-7-15(12-19)13-20)11-16(17)18(2,3)4/h8-9,11,15H,5-7,10,12-13,19-20H2,1-4H3.
What are the key properties of 2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine?
2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83934434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).