1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol

C16H27NO — CID 54962781

IUPAC1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol
SMILESCCC(C)CC(CC)Nc1ccccc1C(C)O
InChIInChI=1S/C16H27NO/c1-5-12(3)11-14(6-2)17-16-10-8-7-9-15(16)13(4)18/h7-10,12-14,17-18H,5-6,11H2,1-4H3
InChIKeySGXBLZXGTNNNNC-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.37
Rot. Bonds7

About 1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol

1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol (PubChem CID 54962781) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol
PubChem CID54962781
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol
SMILESCCC(C)CC(CC)Nc1ccccc1C(C)O
InChIInChI=1S/C16H27NO/c1-5-12(3)11-14(6-2)17-16-10-8-7-9-15(16)13(4)18/h7-10,12-14,17-18H,5-6,11H2,1-4H3
InChIKeySGXBLZXGTNNNNC-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol?
The IUPAC name of 1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol (CID 54962781) is 1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol.
What is the SMILES notation for 1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol?
The canonical SMILES for 1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol is CCC(C)CC(CC)Nc1ccccc1C(C)O.
What is the InChIKey of 1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol?
The InChIKey is SGXBLZXGTNNNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-12(3)11-14(6-2)17-16-10-8-7-9-15(16)13(4)18/h7-10,12-14,17-18H,5-6,11H2,1-4H3.
What are the key properties of 1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol?
1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol has a molecular weight of 249.40 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol is sourced from PubChem (CID 54962781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).