4-(3-amino-2-methylpropyl)phenol;ethane

C12H21NO — CID 170743294

IUPAC4-(3-amino-2-methylpropyl)phenol;ethane
SMILESCC.CC(CN)Cc1ccc(O)cc1
InChIInChI=1S/C10H15NO.C2H6/c1-8(7-11)6-9-2-4-10(12)5-3-9;1-2/h2-5,8,12H,6-7,11H2,1H3;1-2H3
InChIKeyRBAAQKIUXBRIGX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.56
Rot. Bonds3

About 4-(3-amino-2-methylpropyl)phenol;ethane

4-(3-amino-2-methylpropyl)phenol;ethane (PubChem CID 170743294) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(3-amino-2-methylpropyl)phenol;ethane.

Molecular Properties

Compound Name4-(3-amino-2-methylpropyl)phenol;ethane
PubChem CID170743294
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(3-amino-2-methylpropyl)phenol;ethane
SMILESCC.CC(CN)Cc1ccc(O)cc1
InChIInChI=1S/C10H15NO.C2H6/c1-8(7-11)6-9-2-4-10(12)5-3-9;1-2/h2-5,8,12H,6-7,11H2,1H3;1-2H3
InChIKeyRBAAQKIUXBRIGX-UHFFFAOYSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
2-methyl-3-phenylpropan-1-amine
CID 12672558
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 116924750
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylpropyl)phenol;ethane?
The IUPAC name of 4-(3-amino-2-methylpropyl)phenol;ethane (CID 170743294) is 4-(3-amino-2-methylpropyl)phenol;ethane.
What is the SMILES notation for 4-(3-amino-2-methylpropyl)phenol;ethane?
The canonical SMILES for 4-(3-amino-2-methylpropyl)phenol;ethane is CC.CC(CN)Cc1ccc(O)cc1.
What is the InChIKey of 4-(3-amino-2-methylpropyl)phenol;ethane?
The InChIKey is RBAAQKIUXBRIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-8(7-11)6-9-2-4-10(12)5-3-9;1-2/h2-5,8,12H,6-7,11H2,1H3;1-2H3.
What are the key properties of 4-(3-amino-2-methylpropyl)phenol;ethane?
4-(3-amino-2-methylpropyl)phenol;ethane has a molecular weight of 195.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylpropyl)phenol;ethane is sourced from PubChem (CID 170743294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).