N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine

C17H22ClNO2 — CID 4724475

IUPACN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C17H22ClNO2/c1-3-4-5-10-19-12-14-7-9-16(21-14)13-6-8-17(20-2)15(18)11-13/h6-9,11,19H,3-5,10,12H2,1-2H3
InChIKeyGTFUDVVKROTGQC-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.89
Rot. Bonds8

About N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine (PubChem CID 4724475) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
PubChem CID4724475
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C17H22ClNO2/c1-3-4-5-10-19-12-14-7-9-16(21-14)13-6-8-17(20-2)15(18)11-13/h6-9,11,19H,3-5,10,12H2,1-2H3
InChIKeyGTFUDVVKROTGQC-UHFFFAOYSA-N
XLogP4.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.89
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

2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]heptan-1-amine;hydrochloride
CID 17057126
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17333054
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 4724568
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526303
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156415
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724459
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine?
The IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine (CID 4724475) is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine?
The canonical SMILES for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine is CCCCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1.
What is the InChIKey of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine?
The InChIKey is GTFUDVVKROTGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-3-4-5-10-19-12-14-7-9-16(21-14)13-6-8-17(20-2)15(18)11-13/h6-9,11,19H,3-5,10,12H2,1-2H3.
What are the key properties of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine?
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine has a molecular weight of 307.82 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine is sourced from PubChem (CID 4724475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).