N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine

C16H20ClNO2 — CID 65125363

IUPACN-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COCc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO2/c1-2-8-18-10-16-14(7-9-20-16)12-19-11-13-3-5-15(17)6-4-13/h3-7,9,18H,2,8,10-12H2,1H3
InChIKeyQEVWZFIRFNTSHX-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.15
Rot. Bonds8

About N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine

N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 65125363) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
PubChem CID65125363
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COCc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO2/c1-2-8-18-10-16-14(7-9-20-16)12-19-11-13-3-5-15(17)6-4-13/h3-7,9,18H,2,8,10-12H2,1H3
InChIKeyQEVWZFIRFNTSHX-UHFFFAOYSA-N
XLogP4.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]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-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 65125350
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63498079
N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450050
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058
N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103490562
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 64854897
1-[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
CID 65125404
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine (CID 65125363) is N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1COCc1ccc(Cl)cc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is QEVWZFIRFNTSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-2-8-18-10-16-14(7-9-20-16)12-19-11-13-3-5-15(17)6-4-13/h3-7,9,18H,2,8,10-12H2,1H3.
What are the key properties of N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 293.79 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65125363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).