N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine

C19H23Cl2NO — CID 134232523

IUPACN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H23Cl2NO/c1-3-5-14(4-2)10-11-22-13-16-7-9-19(23-16)17-8-6-15(20)12-18(17)21/h3,6-9,12,14,22H,1,4-5,10-11,13H2,2H3
InChIKeyCVMLFHICTPZZFU-UHFFFAOYSA-N
MW352.31 g/mol
LogP6.34
Rot. Bonds9

About N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine (PubChem CID 134232523) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine
PubChem CID134232523
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H23Cl2NO/c1-3-5-14(4-2)10-11-22-13-16-7-9-19(23-16)17-8-6-15(20)12-18(17)21/h3,6-9,12,14,22H,1,4-5,10-11,13H2,2H3
InChIKeyCVMLFHICTPZZFU-UHFFFAOYSA-N
XLogP6.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723564
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine (CID 134232523) is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine is C=CCC(CC)CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine?
The InChIKey is CVMLFHICTPZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO/c1-3-5-14(4-2)10-11-22-13-16-7-9-19(23-16)17-8-6-15(20)12-18(17)21/h3,6-9,12,14,22H,1,4-5,10-11,13H2,2H3.
What are the key properties of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine?
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine has a molecular weight of 352.31 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine is sourced from PubChem (CID 134232523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).