[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium

C16H21ClNO3+ — CID 7425244

IUPAC[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
SMILESCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C16H20ClNO3/c1-3-12(10-19)18-9-13-5-7-15(21-13)11-4-6-16(20-2)14(17)8-11/h4-8,12,18-19H,3,9-10H2,1-2H3/p+1/t12-/m0/s1
InChIKeyONNAIERJZHZLFX-LBPRGKRZSA-O
MW310.80 g/mol
LogP2.44
Rot. Bonds7

About [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium

[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium (PubChem CID 7425244) has the molecular formula C16H21ClNO3+ and a molecular weight of 310.80 g/mol. Its IUPAC name is [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium.

Molecular Properties

Compound Name[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
PubChem CID7425244
Molecular FormulaC16H21ClNO3+
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
SMILESCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C16H20ClNO3/c1-3-12(10-19)18-9-13-5-7-15(21-13)11-4-6-16(20-2)14(17)8-11/h4-8,12,18-19H,3,9-10H2,1-2H3/p+1/t12-/m0/s1
InChIKeyONNAIERJZHZLFX-LBPRGKRZSA-O
XLogP2.44
TPSA59.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724459
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
CID 7425255
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 7425147
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
CID 170889123
[5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium
CID 7450449
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine
CID 4727079
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
CID 17156412
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17333046
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17333054

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium?
The IUPAC name of [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium (CID 7425244) is [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium.
What is the SMILES notation for [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium?
The canonical SMILES for [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium is CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1.
What is the InChIKey of [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium?
The InChIKey is ONNAIERJZHZLFX-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H20ClNO3/c1-3-12(10-19)18-9-13-5-7-15(21-13)11-4-6-16(20-2)14(17)8-11/h4-8,12,18-19H,3,9-10H2,1-2H3/p+1/t12-/m0/s1.
What are the key properties of [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium?
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium has a molecular weight of 310.80 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium is sourced from PubChem (CID 7425244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).