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

C15H18ClNO2 — CID 106886805

IUPACN-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cc(Cl)ccc1OC
InChIInChI=1S/C15H18ClNO2/c1-3-7-17-10-15-12(6-8-19-15)13-9-11(16)4-5-14(13)18-2/h4-6,8-9,17H,3,7,10H2,1-2H3
InChIKeyIBOBOYWBZKVAIZ-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.11
Rot. Bonds6

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

N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106886805) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID106886805
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cc(Cl)ccc1OC
InChIInChI=1S/C15H18ClNO2/c1-3-7-17-10-15-12(6-8-19-15)13-9-11(16)4-5-14(13)18-2/h4-6,8-9,17H,3,7,10H2,1-2H3
InChIKeyIBOBOYWBZKVAIZ-UHFFFAOYSA-N
XLogP4.11
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408414
N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888317
N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887842
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63428118
N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine
CID 106887974
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 106888684
N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888999

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine (CID 106886805) is N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1cc(Cl)ccc1OC.
What is the InChIKey of N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is IBOBOYWBZKVAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-7-17-10-15-12(6-8-19-15)13-9-11(16)4-5-14(13)18-2/h4-6,8-9,17H,3,7,10H2,1-2H3.
What are the key properties of N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 279.77 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106886805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).