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

C15H18ClNO — CID 4725309

IUPACN-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(Cl)c2C)o1
InChIInChI=1S/C15H18ClNO/c1-3-9-17-10-12-7-8-15(18-12)13-5-4-6-14(16)11(13)2/h4-8,17H,3,9-10H2,1-2H3
InChIKeyNMYSNXNARATDLA-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.41
Rot. Bonds5

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

N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 4725309) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID4725309
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(Cl)c2C)o1
InChIInChI=1S/C15H18ClNO/c1-3-9-17-10-12-7-8-15(18-12)13-5-4-6-14(16)11(13)2/h4-8,17H,3,9-10H2,1-2H3
InChIKeyNMYSNXNARATDLA-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 4724375
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210608
2-[3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214305
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209848
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106889016
2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724276
(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol
CID 8636993
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207893
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804
1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085456

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine (CID 4725309) is N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2cccc(Cl)c2C)o1.
What is the InChIKey of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is NMYSNXNARATDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-3-9-17-10-12-7-8-15(18-12)13-5-4-6-14(16)11(13)2/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 4725309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).