1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine

C15H26N2O — CID 115197050

IUPAC1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
SMILESCCOc1ccc(C(C)(C)CNCC(C)N)cc1
InChIInChI=1S/C15H26N2O/c1-5-18-14-8-6-13(7-9-14)15(3,4)11-17-10-12(2)16/h6-9,12,17H,5,10-11,16H2,1-4H3
InChIKeyFOUGFQWFRRVLRU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds7

About 1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine

1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine (PubChem CID 115197050) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
PubChem CID115197050
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
SMILESCCOc1ccc(C(C)(C)CNCC(C)N)cc1
InChIInChI=1S/C15H26N2O/c1-5-18-14-8-6-13(7-9-14)15(3,4)11-17-10-12(2)16/h6-9,12,17H,5,10-11,16H2,1-4H3
InChIKeyFOUGFQWFRRVLRU-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227480
N-(2-chloroethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
CID 115215295
1-N-[2-(4-ethoxyphenyl)ethyl]propane-1,2-diamine
CID 115196776
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197053
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478
N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
CID 115208003
2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115251783
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
CID 115226389
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003253

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine?
The IUPAC name of 1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine (CID 115197050) is 1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine is CCOc1ccc(C(C)(C)CNCC(C)N)cc1.
What is the InChIKey of 1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine?
The InChIKey is FOUGFQWFRRVLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-18-14-8-6-13(7-9-14)15(3,4)11-17-10-12(2)16/h6-9,12,17H,5,10-11,16H2,1-4H3.
What are the key properties of 1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine?
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine is sourced from PubChem (CID 115197050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).