1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine

C17H29NO — CID 112615535

IUPAC1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCC(CC)CC
InChIInChI=1S/C17H29NO/c1-5-14(6-2)12-19-17-13(4)9-8-10-15(17)11-16(18)7-3/h8-10,14,16H,5-7,11-12,18H2,1-4H3
InChIKeySJHYGWXFFPPDQP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.09
Rot. Bonds8

About 1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine

1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine (PubChem CID 112615535) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
PubChem CID112615535
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCC(CC)CC
InChIInChI=1S/C17H29NO/c1-5-14(6-2)12-19-17-13(4)9-8-10-15(17)11-16(18)7-3/h8-10,14,16H,5-7,11-12,18H2,1-4H3
InChIKeySJHYGWXFFPPDQP-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[3-(dimethylamino)propoxy]-3-methylphenyl]butan-2-amine
CID 114526345
1-(2-but-3-enoxy-3-methylphenyl)butan-2-amine
CID 112615496
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
1-(2-methyl-6-propylphenoxy)butan-2-amine
CID 45097705
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958219
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine
CID 104808041
1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958268
1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine
CID 115958169
ethyl 2-[2-(2-aminobutyl)-6-methylphenoxy]butanoate
CID 115958262
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide
CID 115958175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine?
The IUPAC name of 1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine (CID 112615535) is 1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine is CCC(N)Cc1cccc(C)c1OCC(CC)CC.
What is the InChIKey of 1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine?
The InChIKey is SJHYGWXFFPPDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-14(6-2)12-19-17-13(4)9-8-10-15(17)11-16(18)7-3/h8-10,14,16H,5-7,11-12,18H2,1-4H3.
What are the key properties of 1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine?
1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine is sourced from PubChem (CID 112615535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).