6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol

C17H29NO3 — CID 129262266

IUPAC6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol
SMILESCCCOc1cc(OCCCC(O)CC)c(C)cc1CN
InChIInChI=1S/C17H29NO3/c1-4-8-20-17-11-16(13(3)10-14(17)12-18)21-9-6-7-15(19)5-2/h10-11,15,19H,4-9,12,18H2,1-3H3
InChIKeyKKAXYWNHPMTJLA-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.17
Rot. Bonds10

About 6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol

6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol (PubChem CID 129262266) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol.

Molecular Properties

Compound Name6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol
PubChem CID129262266
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol
SMILESCCCOc1cc(OCCCC(O)CC)c(C)cc1CN
InChIInChI=1S/C17H29NO3/c1-4-8-20-17-11-16(13(3)10-14(17)12-18)21-9-6-7-15(19)5-2/h10-11,15,19H,4-9,12,18H2,1-3H3
InChIKeyKKAXYWNHPMTJLA-UHFFFAOYSA-N
XLogP3.17
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
CID 83940981
6-(2,6-dimethylphenoxy)hexan-3-ol
CID 106802636
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
CID 106802628
4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine
CID 83940931
1-[2-(aminomethyl)-4-methylphenoxy]butan-2-ol
CID 63322818
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
3-(2,5-dimethyl-4-propoxyphenyl)propanethioamide
CID 83940971
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
1-[2-(aminomethyl)-4-fluorophenoxy]-3-butoxypropan-2-ol
CID 107694736
1-(2,5-dimethyl-4-propoxyphenyl)-2-methylheptan-4-one
CID 83940970

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol?
The IUPAC name of 6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol (CID 129262266) is 6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol.
What is the SMILES notation for 6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol?
The canonical SMILES for 6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol is CCCOc1cc(OCCCC(O)CC)c(C)cc1CN.
What is the InChIKey of 6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol?
The InChIKey is KKAXYWNHPMTJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-8-20-17-11-16(13(3)10-14(17)12-18)21-9-6-7-15(19)5-2/h10-11,15,19H,4-9,12,18H2,1-3H3.
What are the key properties of 6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol?
6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol has a molecular weight of 295.42 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol is sourced from PubChem (CID 129262266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).