4-amino-3-phenyl-3-propan-2-ylhexan-1-ol

C15H25NO — CID 66090564

IUPAC4-amino-3-phenyl-3-propan-2-ylhexan-1-ol
SMILESCCC(N)C(CCO)(c1ccccc1)C(C)C
InChIInChI=1S/C15H25NO/c1-4-14(16)15(10-11-17,12(2)3)13-8-6-5-7-9-13/h5-9,12,14,17H,4,10-11,16H2,1-3H3
InChIKeyYDDCSKZQQBACKX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.70
Rot. Bonds6

About 4-amino-3-phenyl-3-propan-2-ylhexan-1-ol

4-amino-3-phenyl-3-propan-2-ylhexan-1-ol (PubChem CID 66090564) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-amino-3-phenyl-3-propan-2-ylhexan-1-ol.

Molecular Properties

Compound Name4-amino-3-phenyl-3-propan-2-ylhexan-1-ol
PubChem CID66090564
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-amino-3-phenyl-3-propan-2-ylhexan-1-ol
SMILESCCC(N)C(CCO)(c1ccccc1)C(C)C
InChIInChI=1S/C15H25NO/c1-4-14(16)15(10-11-17,12(2)3)13-8-6-5-7-9-13/h5-9,12,14,17H,4,10-11,16H2,1-3H3
InChIKeyYDDCSKZQQBACKX-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-phenyl-3-propan-2-ylhexan-1-ol?
The IUPAC name of 4-amino-3-phenyl-3-propan-2-ylhexan-1-ol (CID 66090564) is 4-amino-3-phenyl-3-propan-2-ylhexan-1-ol.
What is the SMILES notation for 4-amino-3-phenyl-3-propan-2-ylhexan-1-ol?
The canonical SMILES for 4-amino-3-phenyl-3-propan-2-ylhexan-1-ol is CCC(N)C(CCO)(c1ccccc1)C(C)C.
What is the InChIKey of 4-amino-3-phenyl-3-propan-2-ylhexan-1-ol?
The InChIKey is YDDCSKZQQBACKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-14(16)15(10-11-17,12(2)3)13-8-6-5-7-9-13/h5-9,12,14,17H,4,10-11,16H2,1-3H3.
What are the key properties of 4-amino-3-phenyl-3-propan-2-ylhexan-1-ol?
4-amino-3-phenyl-3-propan-2-ylhexan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-phenyl-3-propan-2-ylhexan-1-ol is sourced from PubChem (CID 66090564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).