3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol

C15H25NO2 — CID 106938875

IUPAC3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
SMILESCC(C)(CNCc1ccccc1)COCCCO
InChIInChI=1S/C15H25NO2/c1-15(2,13-18-10-6-9-17)12-16-11-14-7-4-3-5-8-14/h3-5,7-8,16-17H,6,9-13H2,1-2H3
InChIKeyLTMDEDLVZSQNDQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.20
Rot. Bonds9

About 3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol

3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol (PubChem CID 106938875) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
PubChem CID106938875
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
SMILESCC(C)(CNCc1ccccc1)COCCCO
InChIInChI=1S/C15H25NO2/c1-15(2,13-18-10-6-9-17)12-16-11-14-7-4-3-5-8-14/h3-5,7-8,16-17H,6,9-13H2,1-2H3
InChIKeyLTMDEDLVZSQNDQ-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(4-methoxybutoxy)-2,2-dimethylpropan-1-amine
CID 104648302
N-benzyl-2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 115925386
N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
CID 112568802
N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 103034495
N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
CID 112568841
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide
CID 106938877
2,2-dimethyl-N-(2-methylpropyl)-3-(3-phenylpropoxy)propan-1-amine
CID 79626902
N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine
CID 115925354
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
CID 165127154
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol?
The IUPAC name of 3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol (CID 106938875) is 3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol?
The canonical SMILES for 3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol is CC(C)(CNCc1ccccc1)COCCCO.
What is the InChIKey of 3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol?
The InChIKey is LTMDEDLVZSQNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,13-18-10-6-9-17)12-16-11-14-7-4-3-5-8-14/h3-5,7-8,16-17H,6,9-13H2,1-2H3.
What are the key properties of 3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol?
3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol is sourced from PubChem (CID 106938875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).