1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol

C13H21NO2 — CID 106695946

IUPAC1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cccc(N)c1
InChIInChI=1S/C13H21NO2/c1-13(2,16-3)8-7-12(15)10-5-4-6-11(14)9-10/h4-6,9,12,15H,7-8,14H2,1-3H3
InChIKeyMJSJODAVSOHRCV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds5

About 1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol

1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 106695946) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
PubChem CID106695946
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cccc(N)c1
InChIInChI=1S/C13H21NO2/c1-13(2,16-3)8-7-12(15)10-5-4-6-11(14)9-10/h4-6,9,12,15H,7-8,14H2,1-3H3
InChIKeyMJSJODAVSOHRCV-UHFFFAOYSA-N
XLogP2.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(3-ethoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035096
3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline
CID 106665054
(3-methoxy-3-methylbutyl) 2-(3-aminophenyl)propanoate
CID 106592409
1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
CID 106695875
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035148
1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028428
1,3-bis(3-aminophenyl)propan-1-ol
CID 12932007
4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
CID 103028394
5-methoxy-2,5-dimethyl-1-phenylhexan-1-ol
CID 103036478

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol (CID 106695946) is 1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is MJSJODAVSOHRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,16-3)8-7-12(15)10-5-4-6-11(14)9-10/h4-6,9,12,15H,7-8,14H2,1-3H3.
What are the key properties of 1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol?
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 106695946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).