N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine

C17H22ClNO2 — CID 63498079

IUPACN-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C17H22ClNO2/c1-4-6-19-10-16-14(5-7-20-16)11-21-15-8-12(2)17(18)13(3)9-15/h5,7-9,19H,4,6,10-11H2,1-3H3
InChIKeyVMWXTPXDKMOSDJ-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.63
Rot. Bonds7

About N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine

N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 63498079) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID63498079
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C17H22ClNO2/c1-4-6-19-10-16-14(5-7-20-16)11-21-15-8-12(2)17(18)13(3)9-15/h5,7-9,19H,4,6,10-11H2,1-3H3
InChIKeyVMWXTPXDKMOSDJ-UHFFFAOYSA-N
XLogP4.63
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.63
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-chloro-3,5-dimethylphenoxy)methyl]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-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058
N-[[3-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450156
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 64854897
N-[[2-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 63497826
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62486443
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-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452982

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine (CID 63498079) is N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is VMWXTPXDKMOSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-4-6-19-10-16-14(5-7-20-16)11-21-15-8-12(2)17(18)13(3)9-15/h5,7-9,19H,4,6,10-11H2,1-3H3.
What are the key properties of N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 307.82 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63498079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).