2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine

C15H25NO — CID 115002161

IUPAC2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)OCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-4-15(12-16-13(2)3)17-11-10-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3
InChIKeyHNVUCXQKIOUNGN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.02
Rot. Bonds8

About 2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine

2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 115002161) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
PubChem CID115002161
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)OCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-4-15(12-16-13(2)3)17-11-10-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3
InChIKeyHNVUCXQKIOUNGN-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylmethoxy-N-propan-2-ylbutan-1-amine
CID 62446151
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011
3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine
CID 103228598
N-methyl-3-(2-phenylethoxy)pentan-1-amine
CID 142009741
N-[2-(2-phenylethoxy)propyl]butan-2-amine
CID 115002170
1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14223890
2-ethyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 62528968
1-(2-phenylethoxy)propane-1,2-diol
CID 140994820
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 83045178
N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
CID 115001394

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine (CID 115002161) is 2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)OCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is HNVUCXQKIOUNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-15(12-16-13(2)3)17-11-10-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3.
What are the key properties of 2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine?
2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 115002161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).