3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol

C20H34N2O2 — CID 67960829

IUPAC3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol
SMILESOCCCNCC1CCC(CNCCOCc2ccccc2)CC1
InChIInChI=1S/C20H34N2O2/c23-13-4-11-21-15-18-7-9-19(10-8-18)16-22-12-14-24-17-20-5-2-1-3-6-20/h1-3,5-6,18-19,21-23H,4,7-17H2
InChIKeyJYQGFNPBWFJJKT-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.57
Rot. Bonds12

About 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol

3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol (PubChem CID 67960829) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol
PubChem CID67960829
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol
SMILESOCCCNCC1CCC(CNCCOCc2ccccc2)CC1
InChIInChI=1S/C20H34N2O2/c23-13-4-11-21-15-18-7-9-19(10-8-18)16-22-12-14-24-17-20-5-2-1-3-6-20/h1-3,5-6,18-19,21-23H,4,7-17H2
InChIKeyJYQGFNPBWFJJKT-UHFFFAOYSA-N
XLogP2.57
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-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

N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
CID 62564980
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
CID 130536844
N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
CID 55088293
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
cyclohexanamine;2-phenylmethoxyethanol
CID 143913686

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol (CID 67960829) is 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol is OCCCNCC1CCC(CNCCOCc2ccccc2)CC1.
What is the InChIKey of 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol?
The InChIKey is JYQGFNPBWFJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c23-13-4-11-21-15-18-7-9-19(10-8-18)16-22-12-14-24-17-20-5-2-1-3-6-20/h1-3,5-6,18-19,21-23H,4,7-17H2.
What are the key properties of 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol?
3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol has a molecular weight of 334.50 g/mol, XLogP of 2.57, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol is sourced from PubChem (CID 67960829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).