3-(3-amino-2-methyl-3-phenylpropyl)phenol

C16H19NO — CID 113460077

IUPAC3-(3-amino-2-methyl-3-phenylpropyl)phenol
SMILESCC(Cc1cccc(O)c1)C(N)c1ccccc1
InChIInChI=1S/C16H19NO/c1-12(10-13-6-5-9-15(18)11-13)16(17)14-7-3-2-4-8-14/h2-9,11-12,16,18H,10,17H2,1H3
InChIKeyRPOFFPSNYCVSLP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.27
Rot. Bonds4

About 3-(3-amino-2-methyl-3-phenylpropyl)phenol

3-(3-amino-2-methyl-3-phenylpropyl)phenol (PubChem CID 113460077) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(3-amino-2-methyl-3-phenylpropyl)phenol.

Molecular Properties

Compound Name3-(3-amino-2-methyl-3-phenylpropyl)phenol
PubChem CID113460077
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-(3-amino-2-methyl-3-phenylpropyl)phenol
SMILESCC(Cc1cccc(O)c1)C(N)c1ccccc1
InChIInChI=1S/C16H19NO/c1-12(10-13-6-5-9-15(18)11-13)16(17)14-7-3-2-4-8-14/h2-9,11-12,16,18H,10,17H2,1H3
InChIKeyRPOFFPSNYCVSLP-UHFFFAOYSA-N
XLogP3.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 103038667
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
3-(2-sulfanylpropyl)phenol
CID 115013475
3-[2-(4-aminophenyl)propyl]phenol
CID 70385210
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
CID 70466970
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 114930765
1-amino-3-(3-hydroxyphenyl)-1-phenylpropan-2-one
CID 116551129
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
(1S,2S)-1-amino-3-[3-[(2R,3S)-3-amino-3-hydroxy-2-methylpropyl]phenyl]-2-methylpropan-1-ol
CID 124639737
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 90059046

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methyl-3-phenylpropyl)phenol?
The IUPAC name of 3-(3-amino-2-methyl-3-phenylpropyl)phenol (CID 113460077) is 3-(3-amino-2-methyl-3-phenylpropyl)phenol.
What is the SMILES notation for 3-(3-amino-2-methyl-3-phenylpropyl)phenol?
The canonical SMILES for 3-(3-amino-2-methyl-3-phenylpropyl)phenol is CC(Cc1cccc(O)c1)C(N)c1ccccc1.
What is the InChIKey of 3-(3-amino-2-methyl-3-phenylpropyl)phenol?
The InChIKey is RPOFFPSNYCVSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12(10-13-6-5-9-15(18)11-13)16(17)14-7-3-2-4-8-14/h2-9,11-12,16,18H,10,17H2,1H3.
What are the key properties of 3-(3-amino-2-methyl-3-phenylpropyl)phenol?
3-(3-amino-2-methyl-3-phenylpropyl)phenol has a molecular weight of 241.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methyl-3-phenylpropyl)phenol is sourced from PubChem (CID 113460077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).