3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol

C15H23NO2 — CID 112518695

IUPAC3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
SMILESCOc1cc(C)cc(C)c1C(O)CCNC1CC1
InChIInChI=1S/C15H23NO2/c1-10-8-11(2)15(14(9-10)18-3)13(17)6-7-16-12-4-5-12/h8-9,12-13,16-17H,4-7H2,1-3H3
InChIKeyBQNAVKWDFFEFMK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.49
Rot. Bonds6

About 3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol

3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol (PubChem CID 112518695) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
PubChem CID112518695
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
SMILESCOc1cc(C)cc(C)c1C(O)CCNC1CC1
InChIInChI=1S/C15H23NO2/c1-10-8-11(2)15(14(9-10)18-3)13(17)6-7-16-12-4-5-12/h8-9,12-13,16-17H,4-7H2,1-3H3
InChIKeyBQNAVKWDFFEFMK-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116935221
cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679603
1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol
CID 106682608
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115207098
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 106680156
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106682653
1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol
CID 106680167
cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 82493927
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-ol
CID 112513617

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol (CID 112518695) is 3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol is COc1cc(C)cc(C)c1C(O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The InChIKey is BQNAVKWDFFEFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-8-11(2)15(14(9-10)18-3)13(17)6-7-16-12-4-5-12/h8-9,12-13,16-17H,4-7H2,1-3H3.
What are the key properties of 3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 112518695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).