1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol

C17H29NO2 — CID 62199289

IUPAC1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol
SMILESCCCCC(C)NCC(O)COc1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO2/c1-5-6-7-15(4)18-11-16(19)12-20-17-9-13(2)8-14(3)10-17/h8-10,15-16,18-19H,5-7,11-12H2,1-4H3
InChIKeyCIYABHDQVMRLLG-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.21
Rot. Bonds9

About 1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol

1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol (PubChem CID 62199289) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol
PubChem CID62199289
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol
SMILESCCCCC(C)NCC(O)COc1cc(C)cc(C)c1
InChIInChI=1S/C17H29NO2/c1-5-6-7-15(4)18-11-16(19)12-20-17-9-13(2)8-14(3)10-17/h8-10,15-16,18-19H,5-7,11-12H2,1-4H3
InChIKeyCIYABHDQVMRLLG-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(heptan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 60635442
1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
CID 54196507
1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 62200405
1-(3,5-dimethylphenoxy)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 158624002
1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol
CID 60632289
1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60635119
1-(4-chlorophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635716
1-(4-bromophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635405
1-(3-ethylphenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635591
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol (CID 62199289) is 1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol is CCCCC(C)NCC(O)COc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol?
The InChIKey is CIYABHDQVMRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-6-7-15(4)18-11-16(19)12-20-17-9-13(2)8-14(3)10-17/h8-10,15-16,18-19H,5-7,11-12H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol?
1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol is sourced from PubChem (CID 62199289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).