N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine

C14H16ClNO — CID 43624933

IUPACN-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(Cl)cc2C)o1
InChIInChI=1S/C14H16ClNO/c1-3-16-9-12-5-7-14(17-12)13-6-4-11(15)8-10(13)2/h4-8,16H,3,9H2,1-2H3
InChIKeyUBMIAMFCSRKVSR-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.02
Rot. Bonds4

About N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine

N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 43624933) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
PubChem CID43624933
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(Cl)cc2C)o1
InChIInChI=1S/C14H16ClNO/c1-3-16-9-12-5-7-14(17-12)13-6-4-11(15)8-10(13)2/h4-8,16H,3,9H2,1-2H3
InChIKeyUBMIAMFCSRKVSR-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine
CID 104724948
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
2-(4-chloro-2-methylphenyl)-5-methylfuran
CID 123392462
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106889030
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
N-[[5-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451647
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106889016
N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine
CID 106888548
N-[[5-(2,3,4,6-tetrachlorophenyl)furan-2-yl]methyl]ethanamine
CID 106889099
N-[[5-(2-methoxy-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106887131

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine (CID 43624933) is N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2ccc(Cl)cc2C)o1.
What is the InChIKey of N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is UBMIAMFCSRKVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-3-16-9-12-5-7-14(17-12)13-6-4-11(15)8-10(13)2/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine?
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 249.74 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 43624933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).