N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine

C16H20ClNO2 — CID 106687830

IUPACN-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)c1ccc(Cl)o1
InChIInChI=1S/C16H20ClNO2/c1-3-9-18-14(15-7-8-16(17)20-15)11-12-5-4-6-13(10-12)19-2/h4-8,10,14,18H,3,9,11H2,1-2H3
InChIKeySYBSZUGTWMUNTR-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.22
Rot. Bonds7

About N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine

N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 106687830) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
PubChem CID106687830
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)c1ccc(Cl)o1
InChIInChI=1S/C16H20ClNO2/c1-3-9-18-14(15-7-8-16(17)20-15)11-12-5-4-6-13(10-12)19-2/h4-8,10,14,18H,3,9,11H2,1-2H3
InChIKeySYBSZUGTWMUNTR-UHFFFAOYSA-N
XLogP4.22
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine 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

N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 61065038
N-[1-(5-chlorofuran-2-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 106691522
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
[1-(5-bromofuran-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295409
N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
CID 106693463
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751
N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 106691620
N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 106693326
N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 66475186
N-[1-(4-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60798724

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine (CID 106687830) is N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(OC)c1)c1ccc(Cl)o1.
What is the InChIKey of N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is SYBSZUGTWMUNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-3-9-18-14(15-7-8-16(17)20-15)11-12-5-4-6-13(10-12)19-2/h4-8,10,14,18H,3,9,11H2,1-2H3.
What are the key properties of N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine?
N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 293.79 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106687830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).