3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol

C17H21NO2 — CID 83974181

IUPAC3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol
SMILESCOc1ccc(C(CN)Cc2cccc(O)c2)c(C)c1
InChIInChI=1S/C17H21NO2/c1-12-8-16(20-2)6-7-17(12)14(11-18)9-13-4-3-5-15(19)10-13/h3-8,10,14,19H,9,11,18H2,1-2H3
InChIKeyYQHLATVENXTYRP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.99
Rot. Bonds5

About 3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol

3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol (PubChem CID 83974181) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol.

Molecular Properties

Compound Name3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol
PubChem CID83974181
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol
SMILESCOc1ccc(C(CN)Cc2cccc(O)c2)c(C)c1
InChIInChI=1S/C17H21NO2/c1-12-8-16(20-2)6-7-17(12)14(11-18)9-13-4-3-5-15(19)10-13/h3-8,10,14,19H,9,11,18H2,1-2H3
InChIKeyYQHLATVENXTYRP-UHFFFAOYSA-N
XLogP2.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
CID 83974199
3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83956081
3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974179
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 83974204
2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83974319
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
4-amino-3-(4-methoxy-2-methylphenyl)butanoic acid
CID 82617488
3-[3-amino-2-(2,4-dimethoxyphenyl)propyl]benzonitrile
CID 82140994
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972824
3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974234

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol?
The IUPAC name of 3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol (CID 83974181) is 3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol.
What is the SMILES notation for 3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol?
The canonical SMILES for 3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol is COc1ccc(C(CN)Cc2cccc(O)c2)c(C)c1.
What is the InChIKey of 3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol?
The InChIKey is YQHLATVENXTYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-8-16(20-2)6-7-17(12)14(11-18)9-13-4-3-5-15(19)10-13/h3-8,10,14,19H,9,11,18H2,1-2H3.
What are the key properties of 3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol?
3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol is sourced from PubChem (CID 83974181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).