N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine

C16H25NO2 — CID 43495188

IUPACN-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)C1CCCO1
InChIInChI=1S/C16H25NO2/c1-3-11-17-16(15-6-5-12-19-15)13-7-9-14(10-8-13)18-4-2/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyVKANREFAJUPVOU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds7

About N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine

N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine (PubChem CID 43495188) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
PubChem CID43495188
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OCC)cc1)C1CCCO1
InChIInChI=1S/C16H25NO2/c1-3-11-17-16(15-6-5-12-19-15)13-7-9-14(10-8-13)18-4-2/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyVKANREFAJUPVOU-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 65328700
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65328590
N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
CID 43495861
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 63415910
N-[(4-ethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627828
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
N-[1,4-dioxan-2-yl-(4-ethoxyphenyl)methyl]ethanamine
CID 62798503

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine (CID 43495188) is N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(OCC)cc1)C1CCCO1.
What is the InChIKey of N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The InChIKey is VKANREFAJUPVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-11-17-16(15-6-5-12-19-15)13-7-9-14(10-8-13)18-4-2/h7-10,15-17H,3-6,11-12H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43495188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).