(3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol

C15H25NO — CID 97341375

IUPAC(3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol
SMILESCc1ccccc1CN[C@@H](CCO)C(C)(C)C
InChIInChI=1S/C15H25NO/c1-12-7-5-6-8-13(12)11-16-14(9-10-17)15(2,3)4/h5-8,14,16-17H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyMVXGUNPIYLEYGH-AWEZNQCLSA-N
MW235.37 g/mol
LogP2.88
Rot. Bonds5

About (3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol

(3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol (PubChem CID 97341375) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name(3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol
PubChem CID97341375
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol
SMILESCc1ccccc1CN[C@@H](CCO)C(C)(C)C
InChIInChI=1S/C15H25NO/c1-12-7-5-6-8-13(12)11-16-14(9-10-17)15(2,3)4/h5-8,14,16-17H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyMVXGUNPIYLEYGH-AWEZNQCLSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol?
The IUPAC name of (3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol (CID 97341375) is (3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for (3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol?
The canonical SMILES for (3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol is Cc1ccccc1CN[C@@H](CCO)C(C)(C)C.
What is the InChIKey of (3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol?
The InChIKey is MVXGUNPIYLEYGH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-7-5-6-8-13(12)11-16-14(9-10-17)15(2,3)4/h5-8,14,16-17H,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol?
(3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4-dimethyl-3-[(2-methylphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 97341375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).