1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine

C16H25NO — CID 170890252

IUPAC1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
SMILESCCC(N)Cc1c(C)cc(OCC2CC2)cc1C
InChIInChI=1S/C16H25NO/c1-4-14(17)9-16-11(2)7-15(8-12(16)3)18-10-13-5-6-13/h7-8,13-14H,4-6,9-10,17H2,1-3H3
InChIKeyJLEPVGFJMMPHRP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.37
Rot. Bonds6

About 1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine

1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine (PubChem CID 170890252) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
PubChem CID170890252
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
SMILESCCC(N)Cc1c(C)cc(OCC2CC2)cc1C
InChIInChI=1S/C16H25NO/c1-4-14(17)9-16-11(2)7-15(8-12(16)3)18-10-13-5-6-13/h7-8,13-14H,4-6,9-10,17H2,1-3H3
InChIKeyJLEPVGFJMMPHRP-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-[4-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459298
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102
1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459310
1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
CID 170890029
1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170889912
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine (CID 170890252) is 1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine is CCC(N)Cc1c(C)cc(OCC2CC2)cc1C.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine?
The InChIKey is JLEPVGFJMMPHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14(17)9-16-11(2)7-15(8-12(16)3)18-10-13-5-6-13/h7-8,13-14H,4-6,9-10,17H2,1-3H3.
What are the key properties of 1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine?
1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine is sourced from PubChem (CID 170890252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).