1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol

C17H29NO2 — CID 83942386

IUPAC1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
SMILESCc1cc(C)c(OCC(C)C)c(C(C)CC(O)CN)c1
InChIInChI=1S/C17H29NO2/c1-11(2)10-20-17-14(5)6-12(3)7-16(17)13(4)8-15(19)9-18/h6-7,11,13,15,19H,8-10,18H2,1-5H3
InChIKeyDCHFSWOMHVVLTL-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.15
Rot. Bonds7

About 1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol

1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol (PubChem CID 83942386) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
PubChem CID83942386
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
SMILESCc1cc(C)c(OCC(C)C)c(C(C)CC(O)CN)c1
InChIInChI=1S/C17H29NO2/c1-11(2)10-20-17-14(5)6-12(3)7-16(17)13(4)8-15(19)9-18/h6-7,11,13,15,19H,8-10,18H2,1-5H3
InChIKeyDCHFSWOMHVVLTL-UHFFFAOYSA-N
XLogP3.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83942398
2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942307
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine
CID 83942296
1-(4-chlorobutan-2-yl)-3,5-dimethyl-2-(2-methylpropoxy)benzene
CID 83942283
2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942311
2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol
CID 83942169
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid
CID 83942402
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
6-(3,5-dimethyl-2-propoxyphenyl)heptane-3,4-diol
CID 83942268
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol?
The IUPAC name of 1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol (CID 83942386) is 1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol.
What is the SMILES notation for 1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol?
The canonical SMILES for 1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol is Cc1cc(C)c(OCC(C)C)c(C(C)CC(O)CN)c1.
What is the InChIKey of 1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol?
The InChIKey is DCHFSWOMHVVLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-11(2)10-20-17-14(5)6-12(3)7-16(17)13(4)8-15(19)9-18/h6-7,11,13,15,19H,8-10,18H2,1-5H3.
What are the key properties of 1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol?
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol is sourced from PubChem (CID 83942386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).