4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol

C16H27NO — CID 66091948

IUPAC4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol
SMILESCCC(N)C(C)(CCO)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-5-15(17)16(4,10-11-18)14-8-6-13(7-9-14)12(2)3/h6-9,12,15,18H,5,10-11,17H2,1-4H3
InChIKeyIBQYULJRHSIAHN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.19
Rot. Bonds6

About 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol

4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol (PubChem CID 66091948) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol.

Molecular Properties

Compound Name4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol
PubChem CID66091948
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol
SMILESCCC(N)C(C)(CCO)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-5-15(17)16(4,10-11-18)14-8-6-13(7-9-14)12(2)3/h6-9,12,15,18H,5,10-11,17H2,1-4H3
InChIKeyIBQYULJRHSIAHN-UHFFFAOYSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexanoate
CID 66098770
4-hydroxy-2-methyl-2-(4-propan-2-ylphenyl)butanenitrile
CID 117050042
4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol
CID 82781421
4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid
CID 66096034
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595
4-amino-3-phenyl-3-propan-2-ylhexan-1-ol
CID 66090564
4-amino-3-(4-propan-2-ylphenyl)hexan-1-ol
CID 66090556
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
CID 64716808
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 122163896
4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol
CID 66091467
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol?
The IUPAC name of 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol (CID 66091948) is 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol.
What is the SMILES notation for 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol?
The canonical SMILES for 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol is CCC(N)C(C)(CCO)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol?
The InChIKey is IBQYULJRHSIAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-15(17)16(4,10-11-18)14-8-6-13(7-9-14)12(2)3/h6-9,12,15,18H,5,10-11,17H2,1-4H3.
What are the key properties of 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol?
4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol is sourced from PubChem (CID 66091948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).