3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine

C16H20ClNO2 — CID 167812715

IUPAC3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(C)CCCOc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H20ClNO2/c1-13-4-7-16(20-13)12-18(2)10-3-11-19-15-8-5-14(17)6-9-15/h4-9H,3,10-12H2,1-2H3
InChIKeyWCSWMBCDONUTLY-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.14
Rot. Bonds7

About 3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine

3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 167812715) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID167812715
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(C)CCCOc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H20ClNO2/c1-13-4-7-16(20-13)12-18(2)10-3-11-19-15-8-5-14(17)6-9-15/h4-9H,3,10-12H2,1-2H3
InChIKeyWCSWMBCDONUTLY-UHFFFAOYSA-N
XLogP4.14
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60507099
methyl 2-[3-(4-chlorophenoxy)propyl-methylamino]acetate
CID 60670349
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60646267
3-(4-chlorophenoxy)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropan-1-amine
CID 52679477
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine
CID 82854049
3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 61396861
4-[methyl-[(5-methylfuran-2-yl)methyl]amino]butanethioamide
CID 43526322
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
CID 112790552
3-[[3-(4-chlorophenoxy)propyl-methylamino]methyl]benzoic acid
CID 122028769
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 78790279

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (CID 167812715) is 3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is Cc1ccc(CN(C)CCCOc2ccc(Cl)cc2)o1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is WCSWMBCDONUTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-13-4-7-16(20-13)12-18(2)10-3-11-19-15-8-5-14(17)6-9-15/h4-9H,3,10-12H2,1-2H3.
What are the key properties of 3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 293.79 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 167812715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).