3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol

C16H27NO2 — CID 65108193

IUPAC3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol
SMILESCCC(NCC(O)(CC)CC)c1ccccc1OC
InChIInChI=1S/C16H27NO2/c1-5-14(17-12-16(18,6-2)7-3)13-10-8-9-11-15(13)19-4/h8-11,14,17-18H,5-7,12H2,1-4H3
InChIKeyUVKWBKCJCXBIAH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.29
Rot. Bonds8

About 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol

3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol (PubChem CID 65108193) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol
PubChem CID65108193
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol
SMILESCCC(NCC(O)(CC)CC)c1ccccc1OC
InChIInChI=1S/C16H27NO2/c1-5-14(17-12-16(18,6-2)7-3)13-10-8-9-11-15(13)19-4/h8-11,14,17-18H,5-7,12H2,1-4H3
InChIKeyUVKWBKCJCXBIAH-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol 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

2,2-difluoro-3-[1-(2-methoxyphenyl)propylamino]propan-1-ol
CID 113463328
2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine
CID 114940978
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol (CID 65108193) is 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol is CCC(NCC(O)(CC)CC)c1ccccc1OC.
What is the InChIKey of 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol?
The InChIKey is UVKWBKCJCXBIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-14(17-12-16(18,6-2)7-3)13-10-8-9-11-15(13)19-4/h8-11,14,17-18H,5-7,12H2,1-4H3.
What are the key properties of 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol?
3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol has a molecular weight of 265.40 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65108193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).