2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine

C19H25NO — CID 62353813

IUPAC2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(C)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-4-20-15-19(2,3)21-18-12-10-17(11-13-18)14-16-8-6-5-7-9-16/h5-13,20H,4,14-15H2,1-3H3
InChIKeyJPDJPLDUBQKACM-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.04
Rot. Bonds7

About 2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine

2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine (PubChem CID 62353813) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine
PubChem CID62353813
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(C)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-4-20-15-19(2,3)21-18-12-10-17(11-13-18)14-16-8-6-5-7-9-16/h5-13,20H,4,14-15H2,1-3H3
InChIKeyJPDJPLDUBQKACM-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylphenoxy)-2-methylpropan-1-amine
CID 62353621
N-ethyl-2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62355231
N-ethyl-2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 55063095
N-ethyl-2-methyl-2-(2-phenoxyethoxy)propan-1-amine
CID 62353597
(4-benzylphenoxy)-triethylsilane
CID 102358049
1-benzyl-4-ethylbenzene;methane
CID 144571765
(2S)-2-(4-benzylphenoxy)-2-methylpentanamide
CID 92967593
N-ethyl-2-methyl-2-phenylmethoxybutan-1-amine
CID 62353232
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
2-(4-tert-butylphenoxy)-N,2-dimethylpropan-1-amine
CID 62354404
2-(4-benzylphenoxy)-N-methylpropan-1-amine
CID 62441040

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine (CID 62353813) is 2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)(C)Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is JPDJPLDUBQKACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-20-15-19(2,3)21-18-12-10-17(11-13-18)14-16-8-6-5-7-9-16/h5-13,20H,4,14-15H2,1-3H3.
What are the key properties of 2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine?
2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 62353813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).