N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine

C14H17ClN2O — CID 54809868

IUPACN'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(Cl)cc1NCCNCc1ccco1
InChIInChI=1S/C14H17ClN2O/c1-11-4-5-12(15)9-14(11)17-7-6-16-10-13-3-2-8-18-13/h2-5,8-9,16-17H,6-7,10H2,1H3
InChIKeyROHIFLPVJJMFDO-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.44
Rot. Bonds6

About N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine

N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54809868) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID54809868
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(Cl)cc1NCCNCc1ccco1
InChIInChI=1S/C14H17ClN2O/c1-11-4-5-12(15)9-14(11)17-7-6-16-10-13-3-2-8-18-13/h2-5,8-9,16-17H,6-7,10H2,1H3
InChIKeyROHIFLPVJJMFDO-UHFFFAOYSA-N
XLogP3.44
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.44
H-Bond Donors ≤ 52
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-chloro-2-methylphenyl)furan-2-carboxamide
CID 764191
4-chloro-N-(furan-2-ylmethyl)aniline
CID 968932
1-(4-Chlorophenyl)-4-(2-furylmethyl)piperazine
CID 764185
N-{2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 1252875
N-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 2236865
N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide
CID 2444301
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 2516825
Oxamide, N-furfuryl-N'-(2,4-dimethylphenyl)-
CID 565940
2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide
CID 1342976
N-(4-Chloro-2-methyl-phenyl)-2-[4-(furan-2-carbonyl)-piperazin-1-yl]-acetamide
CID 1148527
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 1314948
3'-Chloro-4'-methyl-2-furanilide
CID 303389

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine (CID 54809868) is N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine is Cc1ccc(Cl)cc1NCCNCc1ccco1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ROHIFLPVJJMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-11-4-5-12(15)9-14(11)17-7-6-16-10-13-3-2-8-18-13/h2-5,8-9,16-17H,6-7,10H2,1H3.
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 264.76 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54809868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).