1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol

C15H26N2O2 — CID 64819164

IUPAC1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
SMILESCOc1cccc(N(C)CCCCC(C)(O)CN)c1
InChIInChI=1S/C15H26N2O2/c1-15(18,12-16)9-4-5-10-17(2)13-7-6-8-14(11-13)19-3/h6-8,11,18H,4-5,9-10,12,16H2,1-3H3
InChIKeyKWANARRGYSDVIE-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.01
Rot. Bonds8

About 1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol

1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol (PubChem CID 64819164) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
PubChem CID64819164
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
SMILESCOc1cccc(N(C)CCCCC(C)(O)CN)c1
InChIInChI=1S/C15H26N2O2/c1-15(18,12-16)9-4-5-10-17(2)13-7-6-8-14(11-13)19-3/h6-8,11,18H,4-5,9-10,12,16H2,1-3H3
InChIKeyKWANARRGYSDVIE-UHFFFAOYSA-N
XLogP2.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.01
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

N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol
CID 64821862
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
CID 64789526
4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile
CID 65251156
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438
5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline
CID 62213434
3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol
CID 57177838

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol (CID 64819164) is 1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol is COc1cccc(N(C)CCCCC(C)(O)CN)c1.
What is the InChIKey of 1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol?
The InChIKey is KWANARRGYSDVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(18,12-16)9-4-5-10-17(2)13-7-6-8-14(11-13)19-3/h6-8,11,18H,4-5,9-10,12,16H2,1-3H3.
What are the key properties of 1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol?
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol is sourced from PubChem (CID 64819164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).