N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine

C14H23NO — CID 112568802

IUPACN-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
SMILESCCOCC(C)(C)CNCc1ccccc1
InChIInChI=1S/C14H23NO/c1-4-16-12-14(2,3)11-15-10-13-8-6-5-7-9-13/h5-9,15H,4,10-12H2,1-3H3
InChIKeyOILSCSPLOZWRIG-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.84
Rot. Bonds7

About N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine

N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine (PubChem CID 112568802) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
PubChem CID112568802
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
SMILESCCOCC(C)(C)CNCc1ccccc1
InChIInChI=1S/C14H23NO/c1-4-16-12-14(2,3)11-15-10-13-8-6-5-7-9-13/h5-9,15H,4,10-12H2,1-3H3
InChIKeyOILSCSPLOZWRIG-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 103034495
3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
CID 106938875
N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
CID 112568841
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-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine
CID 115925354
2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide
CID 106938877
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
N-benzyl-2,2-dimethyl-3-[(6-methyl-2-pyridinyl)oxy]propan-1-amine
CID 115925425
1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847859
CID 177239843
CID 177239843
1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol
CID 42614671

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine?
The IUPAC name of N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine (CID 112568802) is N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine is CCOCC(C)(C)CNCc1ccccc1.
What is the InChIKey of N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine?
The InChIKey is OILSCSPLOZWRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-16-12-14(2,3)11-15-10-13-8-6-5-7-9-13/h5-9,15H,4,10-12H2,1-3H3.
What are the key properties of N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine?
N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 112568802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).