1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol

C16H27NO3 — CID 62200405

IUPAC1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCCCCC(C)NCC(O)COc1ccc(OC)cc1
InChIInChI=1S/C16H27NO3/c1-4-5-6-13(2)17-11-14(18)12-20-16-9-7-15(19-3)8-10-16/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3
InChIKeyHDFFJKZDIZNTGQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.60
Rot. Bonds10

About 1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol

1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 62200405) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID62200405
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCCCCC(C)NCC(O)COc1ccc(OC)cc1
InChIInChI=1S/C16H27NO3/c1-4-5-6-13(2)17-11-14(18)12-20-16-9-7-15(19-3)8-10-16/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3
InChIKeyHDFFJKZDIZNTGQ-UHFFFAOYSA-N
XLogP2.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60635119
1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
CID 54196507
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-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199289
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635112
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
4-[2-hydroxy-3-(pentan-2-ylamino)propoxy]benzonitrile
CID 60634605
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
1-(heptan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 60635442
1-(3-ethylphenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635591
(2S)-2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250156

Frequently Asked Questions

What is the IUPAC name of 1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol (CID 62200405) is 1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol is CCCCC(C)NCC(O)COc1ccc(OC)cc1.
What is the InChIKey of 1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is HDFFJKZDIZNTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-5-6-13(2)17-11-14(18)12-20-16-9-7-15(19-3)8-10-16/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol?
1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 62200405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).