1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine

C16H27NO2 — CID 62105521

IUPAC1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1OCC(C)CC
InChIInChI=1S/C16H27NO2/c1-5-12(3)11-19-15-8-7-14(9-13(4)17)10-16(15)18-6-2/h7-8,10,12-13H,5-6,9,11,17H2,1-4H3
InChIKeyQUHISPJZRPEFSV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.40
Rot. Bonds8

About 1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine

1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine (PubChem CID 62105521) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
PubChem CID62105521
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1OCC(C)CC
InChIInChI=1S/C16H27NO2/c1-5-12(3)11-19-15-8-7-14(9-13(4)17)10-16(15)18-6-2/h7-8,10,12-13H,5-6,9,11,17H2,1-4H3
InChIKeyQUHISPJZRPEFSV-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483230
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
N-[[3-ethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 62103258
1-[3-ethoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039251
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate
CID 63947485
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62103493
2-[4-(2-aminopropyl)-2-ethoxyphenoxy]-N-cyclopropylacetamide
CID 60907117
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
4-(2-bromobutyl)-1,2-diethoxybenzene
CID 82254956

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine (CID 62105521) is 1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine is CCOc1cc(CC(C)N)ccc1OCC(C)CC.
What is the InChIKey of 1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine?
The InChIKey is QUHISPJZRPEFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-12(3)11-19-15-8-7-14(9-13(4)17)10-16(15)18-6-2/h7-8,10,12-13H,5-6,9,11,17H2,1-4H3.
What are the key properties of 1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine?
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine is sourced from PubChem (CID 62105521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).