2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol

C16H20N2O2 — CID 82160813

IUPAC2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol
SMILESCOc1cc(CC(CN)c2ccccc2)cc(N)c1O
InChIInChI=1S/C16H20N2O2/c1-20-15-9-11(8-14(18)16(15)19)7-13(10-17)12-5-3-2-4-6-12/h2-6,8-9,13,19H,7,10,17-18H2,1H3
InChIKeyRRBZWFFMMYWQNP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.27
Rot. Bonds5

About 2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol

2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol (PubChem CID 82160813) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol
PubChem CID82160813
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol
SMILESCOc1cc(CC(CN)c2ccccc2)cc(N)c1O
InChIInChI=1S/C16H20N2O2/c1-20-15-9-11(8-14(18)16(15)19)7-13(10-17)12-5-3-2-4-6-12/h2-6,8-9,13,19H,7,10,17-18H2,1H3
InChIKeyRRBZWFFMMYWQNP-UHFFFAOYSA-N
XLogP2.27
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol
CID 82160859
2-amino-4-(aminomethyl)-6-methoxyphenol
CID 91902669
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
2-amino-4-(chloromethyl)-6-methoxyphenol
CID 94776906
2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine
CID 155432883
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
CID 82160848
2-amino-4-(3-chloropropyl)-6-methoxyphenol
CID 94776729
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
4-[1-amino-3-(3-methoxy-4-pentoxyphenyl)propan-2-yl]phenol
CID 83975407

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol?
The IUPAC name of 2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol (CID 82160813) is 2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol.
What is the SMILES notation for 2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol?
The canonical SMILES for 2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol is COc1cc(CC(CN)c2ccccc2)cc(N)c1O.
What is the InChIKey of 2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol?
The InChIKey is RRBZWFFMMYWQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-15-9-11(8-14(18)16(15)19)7-13(10-17)12-5-3-2-4-6-12/h2-6,8-9,13,19H,7,10,17-18H2,1H3.
What are the key properties of 2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol?
2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol has a molecular weight of 272.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol is sourced from PubChem (CID 82160813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).