1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine

C16H25NO2 — CID 106929153

IUPAC1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1OCOCC1CC1
InChIInChI=1S/C16H25NO2/c1-3-15(17-4-2)14-7-5-6-8-16(14)19-12-18-11-13-9-10-13/h5-8,13,15,17H,3-4,9-12H2,1-2H3
InChIKeyPMJFLDPZSDVGTO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.51
Rot. Bonds9

About 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine

1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine (PubChem CID 106929153) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
PubChem CID106929153
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1OCOCC1CC1
InChIInChI=1S/C16H25NO2/c1-3-15(17-4-2)14-7-5-6-8-16(14)19-12-18-11-13-9-10-13/h5-8,13,15,17H,3-4,9-12H2,1-2H3
InChIKeyPMJFLDPZSDVGTO-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
CID 106929162
N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103782832
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
CID 63934370
1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208142
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539
2-cyclobutyloxy-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 62114747

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine (CID 106929153) is 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccccc1OCOCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine?
The InChIKey is PMJFLDPZSDVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-15(17-4-2)14-7-5-6-8-16(14)19-12-18-11-13-9-10-13/h5-8,13,15,17H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine?
1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 106929153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).