2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol

C15H25NO3 — CID 43792374

IUPAC2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol
SMILESCCCCC(C)Nc1ccc(OC)c(OCCO)c1
InChIInChI=1S/C15H25NO3/c1-4-5-6-12(2)16-13-7-8-14(18-3)15(11-13)19-10-9-17/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyUXLCCSMVYAVWJT-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.06
Rot. Bonds9

About 2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol

2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol (PubChem CID 43792374) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol.

Molecular Properties

Compound Name2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol
PubChem CID43792374
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol
SMILESCCCCC(C)Nc1ccc(OC)c(OCCO)c1
InChIInChI=1S/C15H25NO3/c1-4-5-6-12(2)16-13-7-8-14(18-3)15(11-13)19-10-9-17/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyUXLCCSMVYAVWJT-UHFFFAOYSA-N
XLogP3.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740
3-ethoxy-4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534427
4-methoxy-3-methyl-N-nonan-2-ylaniline
CID 55193321
2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol
CID 43751475
3-chloro-4-methoxy-N-nonan-2-ylaniline
CID 43129722
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
N-hexan-2-yl-4-[3-[4-(hexan-2-ylamino)phenoxy]propoxy]aniline
CID 54014240
3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
CID 60837190
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
4-N-hexan-2-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002251

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol?
The IUPAC name of 2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol (CID 43792374) is 2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol.
What is the SMILES notation for 2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol?
The canonical SMILES for 2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol is CCCCC(C)Nc1ccc(OC)c(OCCO)c1.
What is the InChIKey of 2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol?
The InChIKey is UXLCCSMVYAVWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-5-6-12(2)16-13-7-8-14(18-3)15(11-13)19-10-9-17/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol?
2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol has a molecular weight of 267.37 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol is sourced from PubChem (CID 43792374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).