3-amino-2-methyl-3-phenylnonan-2-ol

C16H27NO — CID 19857644

IUPAC3-amino-2-methyl-3-phenylnonan-2-ol
SMILESCCCCCCC(N)(c1ccccc1)C(C)(C)O
InChIInChI=1S/C16H27NO/c1-4-5-6-10-13-16(17,15(2,3)18)14-11-8-7-9-12-14/h7-9,11-12,18H,4-6,10,13,17H2,1-3H3
InChIKeyDQENRADQZLJXDH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.58
Rot. Bonds7

About 3-amino-2-methyl-3-phenylnonan-2-ol

3-amino-2-methyl-3-phenylnonan-2-ol (PubChem CID 19857644) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenylnonan-2-ol.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenylnonan-2-ol
PubChem CID19857644
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-amino-2-methyl-3-phenylnonan-2-ol
SMILESCCCCCCC(N)(c1ccccc1)C(C)(C)O
InChIInChI=1S/C16H27NO/c1-4-5-6-10-13-16(17,15(2,3)18)14-11-8-7-9-12-14/h7-9,11-12,18H,4-6,10,13,17H2,1-3H3
InChIKeyDQENRADQZLJXDH-UHFFFAOYSA-N
XLogP3.58
TPSA46.25 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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenylnonan-2-ol?
The IUPAC name of 3-amino-2-methyl-3-phenylnonan-2-ol (CID 19857644) is 3-amino-2-methyl-3-phenylnonan-2-ol.
What is the SMILES notation for 3-amino-2-methyl-3-phenylnonan-2-ol?
The canonical SMILES for 3-amino-2-methyl-3-phenylnonan-2-ol is CCCCCCC(N)(c1ccccc1)C(C)(C)O.
What is the InChIKey of 3-amino-2-methyl-3-phenylnonan-2-ol?
The InChIKey is DQENRADQZLJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-6-10-13-16(17,15(2,3)18)14-11-8-7-9-12-14/h7-9,11-12,18H,4-6,10,13,17H2,1-3H3.
What are the key properties of 3-amino-2-methyl-3-phenylnonan-2-ol?
3-amino-2-methyl-3-phenylnonan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenylnonan-2-ol is sourced from PubChem (CID 19857644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).