N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine

C16H25NO2 — CID 65163939

IUPACN-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCCOc1cccc(CNCCCC2CCCO2)c1
InChIInChI=1S/C16H25NO2/c1-2-18-16-7-3-6-14(12-16)13-17-10-4-8-15-9-5-11-19-15/h3,6-7,12,15,17H,2,4-5,8-11,13H2,1H3
InChIKeyMOUXJICZXVBXBB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds8

About N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine

N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65163939) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID65163939
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCCOc1cccc(CNCCCC2CCCO2)c1
InChIInChI=1S/C16H25NO2/c1-2-18-16-7-3-6-14(12-16)13-17-10-4-8-15-9-5-11-19-15/h3,6-7,12,15,17H,2,4-5,8-11,13H2,1H3
InChIKeyMOUXJICZXVBXBB-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
CID 65158699
N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
CID 65158588
N-[(3,4-dimethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163453
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
3-(oxolan-2-ylmethoxy)-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 75858662
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
N'-[(3-ethoxyphenyl)methyl]butane-1,4-diamine
CID 60895275
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255
5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
CID 17206726

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine (CID 65163939) is N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine is CCOc1cccc(CNCCCC2CCCO2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is MOUXJICZXVBXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-18-16-7-3-6-14(12-16)13-17-10-4-8-15-9-5-11-19-15/h3,6-7,12,15,17H,2,4-5,8-11,13H2,1H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65163939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).