N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine

C19H22ClNO — CID 17210309

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine
SMILESClc1ccccc1-c1ccc(CNCCC2=CCCCC2)o1
InChIInChI=1S/C19H22ClNO/c20-18-9-5-4-8-17(18)19-11-10-16(22-19)14-21-13-12-15-6-2-1-3-7-15/h4-6,8-11,21H,1-3,7,12-14H2
InChIKeyXZUVGVUIQQDKSJ-UHFFFAOYSA-N
MW315.84 g/mol
LogP5.58
Rot. Bonds6

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine (PubChem CID 17210309) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine
PubChem CID17210309
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine
SMILESClc1ccccc1-c1ccc(CNCCC2=CCCCC2)o1
InChIInChI=1S/C19H22ClNO/c20-18-9-5-4-8-17(18)19-11-10-16(22-19)14-21-13-12-15-6-2-1-3-7-15/h4-6,8-11,21H,1-3,7,12-14H2
InChIKeyXZUVGVUIQQDKSJ-UHFFFAOYSA-N
XLogP5.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.84
LogP ≤ 55.58
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

2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine
CID 17210373
2-(cyclohexen-1-yl)-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]ethanamine;hydrochloride
CID 17210372
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17056556
3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 102536585
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 106169331
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 119123052
2-(cyclohexen-1-yl)-N-[(4,5-dibromofuran-2-yl)methyl]ethanamine
CID 55032546
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine (CID 17210309) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine is Clc1ccccc1-c1ccc(CNCCC2=CCCCC2)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine?
The InChIKey is XZUVGVUIQQDKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-18-9-5-4-8-17(18)19-11-10-16(22-19)14-21-13-12-15-6-2-1-3-7-15/h4-6,8-11,21H,1-3,7,12-14H2.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine has a molecular weight of 315.84 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine is sourced from PubChem (CID 17210309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).