3-(3-aminopentan-3-yl)phenol

C11H17NO — CID 23618552

IUPAC3-(3-aminopentan-3-yl)phenol
SMILESCCC(N)(CC)c1cccc(O)c1
InChIInChI=1S/C11H17NO/c1-3-11(12,4-2)9-6-5-7-10(13)8-9/h5-8,13H,3-4,12H2,1-2H3
InChIKeyDJCYCLCFLMIKKK-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.37
Rot. Bonds3

About 3-(3-aminopentan-3-yl)phenol

3-(3-aminopentan-3-yl)phenol (PubChem CID 23618552) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(3-aminopentan-3-yl)phenol.

Molecular Properties

Compound Name3-(3-aminopentan-3-yl)phenol
PubChem CID23618552
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(3-aminopentan-3-yl)phenol
SMILESCCC(N)(CC)c1cccc(O)c1
InChIInChI=1S/C11H17NO/c1-3-11(12,4-2)9-6-5-7-10(13)8-9/h5-8,13H,3-4,12H2,1-2H3
InChIKeyDJCYCLCFLMIKKK-UHFFFAOYSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-hydroxyphenyl)butanoic acid
CID 21079809
4-(3-aminopentan-3-yl)phenol
CID 23621887
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347
(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 174186051
2-amino-2-(3-chlorophenyl)butan-1-ol
CID 61054421
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
butan-2-amine;3-(trifluoromethyl)phenol
CID 160848796
3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol
CID 57265568
3-amino-3-(3-chlorophenyl)pentanoic acid
CID 64665989
3-(2-hydroxyhexan-2-yl)phenol
CID 21280529
3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol
CID 105473540

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopentan-3-yl)phenol?
The IUPAC name of 3-(3-aminopentan-3-yl)phenol (CID 23618552) is 3-(3-aminopentan-3-yl)phenol.
What is the SMILES notation for 3-(3-aminopentan-3-yl)phenol?
The canonical SMILES for 3-(3-aminopentan-3-yl)phenol is CCC(N)(CC)c1cccc(O)c1.
What is the InChIKey of 3-(3-aminopentan-3-yl)phenol?
The InChIKey is DJCYCLCFLMIKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-11(12,4-2)9-6-5-7-10(13)8-9/h5-8,13H,3-4,12H2,1-2H3.
What are the key properties of 3-(3-aminopentan-3-yl)phenol?
3-(3-aminopentan-3-yl)phenol has a molecular weight of 179.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopentan-3-yl)phenol is sourced from PubChem (CID 23618552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).