4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol

C19H25NO3 — CID 83975416

IUPAC4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
SMILESCCOc1ccc(CC(CN)c2ccc(O)cc2)c(OCC)c1
InChIInChI=1S/C19H25NO3/c1-3-22-18-10-7-15(19(12-18)23-4-2)11-16(13-20)14-5-8-17(21)9-6-14/h5-10,12,16,21H,3-4,11,13,20H2,1-2H3
InChIKeySRWAKNALVJRUHS-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.47
Rot. Bonds8

About 4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol

4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol (PubChem CID 83975416) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
PubChem CID83975416
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
SMILESCCOc1ccc(CC(CN)c2ccc(O)cc2)c(OCC)c1
InChIInChI=1S/C19H25NO3/c1-3-22-18-10-7-15(19(12-18)23-4-2)11-16(13-20)14-5-8-17(21)9-6-14/h5-10,12,16,21H,3-4,11,13,20H2,1-2H3
InChIKeySRWAKNALVJRUHS-UHFFFAOYSA-N
XLogP3.47
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974449
3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974368
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976344
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952981
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol (CID 83975416) is 4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol is CCOc1ccc(CC(CN)c2ccc(O)cc2)c(OCC)c1.
What is the InChIKey of 4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol?
The InChIKey is SRWAKNALVJRUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-22-18-10-7-15(19(12-18)23-4-2)11-16(13-20)14-5-8-17(21)9-6-14/h5-10,12,16,21H,3-4,11,13,20H2,1-2H3.
What are the key properties of 4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol?
4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol has a molecular weight of 315.41 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 83975416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).