1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine

C17H29NO — CID 63501142

IUPAC1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1OCCC(C)(C)C
InChIInChI=1S/C17H29NO/c1-6-15(18-7-2)14-10-8-9-11-16(14)19-13-12-17(3,4)5/h8-11,15,18H,6-7,12-13H2,1-5H3
InChIKeyWXRWWRIKPDQTJD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.56
Rot. Bonds7

About 1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine

1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine (PubChem CID 63501142) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
PubChem CID63501142
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1OCCC(C)(C)C
InChIInChI=1S/C17H29NO/c1-6-15(18-7-2)14-10-8-9-11-16(14)19-13-12-17(3,4)5/h8-11,15,18H,6-7,12-13H2,1-5H3
InChIKeyWXRWWRIKPDQTJD-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539
N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine
CID 107006072
1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine
CID 103032683
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine
CID 61481627
N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660475
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64650902
1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
CID 63934370
1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
CID 106929153

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine (CID 63501142) is 1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccccc1OCCC(C)(C)C.
What is the InChIKey of 1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine?
The InChIKey is WXRWWRIKPDQTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-15(18-7-2)14-10-8-9-11-16(14)19-13-12-17(3,4)5/h8-11,15,18H,6-7,12-13H2,1-5H3.
What are the key properties of 1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine?
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 63501142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).