2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol

C16H25NO — CID 82296030

IUPAC2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C)c(C(O)C(C)NC2CC2)c1C
InChIInChI=1S/C16H25NO/c1-9-8-10(2)12(4)15(11(9)3)16(18)13(5)17-14-6-7-14/h8,13-14,16-18H,6-7H2,1-5H3
InChIKeyLTIIOPHWZBXHRK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.09
Rot. Bonds4

About 2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol

2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol (PubChem CID 82296030) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
PubChem CID82296030
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C)c(C(O)C(C)NC2CC2)c1C
InChIInChI=1S/C16H25NO/c1-9-8-10(2)12(4)15(11(9)3)16(18)13(5)17-14-6-7-14/h8,13-14,16-18H,6-7H2,1-5H3
InChIKeyLTIIOPHWZBXHRK-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-1-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 82294420
1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol
CID 82307094
2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82315043
2-(cyclopropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 82289334
2-(cyclopentylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 82121821
3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene
CID 83148455
N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine
CID 130674214
N-[5-[(1R,2S)-2-(cyclopropylamino)-1-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide
CID 6602203
2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
CID 112514142
methyl 3-(cyclopropylamino)-4-(2,3,5,6-tetramethylphenyl)butanoate
CID 82351544
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol (CID 82296030) is 2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol is Cc1cc(C)c(C)c(C(O)C(C)NC2CC2)c1C.
What is the InChIKey of 2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The InChIKey is LTIIOPHWZBXHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-9-8-10(2)12(4)15(11(9)3)16(18)13(5)17-14-6-7-14/h8,13-14,16-18H,6-7H2,1-5H3.
What are the key properties of 2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol is sourced from PubChem (CID 82296030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).