(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine

C19H18ClNO — CID 8622797

IUPAC(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C19H18ClNO/c1-14(15-6-3-2-4-7-15)21-13-18-10-11-19(22-18)16-8-5-9-17(20)12-16/h2-12,14,21H,13H2,1H3/t14-/m1/s1
InChIKeyJFQCCEHEJLUUFD-CQSZACIVSA-N
MW311.81 g/mol
LogP5.45
Rot. Bonds5

About (1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine

(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine (PubChem CID 8622797) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is (1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
PubChem CID8622797
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C19H18ClNO/c1-14(15-6-3-2-4-7-15)21-13-18-10-11-19(22-18)16-8-5-9-17(20)12-16/h2-12,14,21H,13H2,1H3/t14-/m1/s1
InChIKeyJFQCCEHEJLUUFD-CQSZACIVSA-N
XLogP5.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.81
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401
2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]-4-methylpentanoic acid
CID 66528004
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267
(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8622717
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
dimethyl 5-[5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 8638607
methyl 4-[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]benzoate
CID 8636505
(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
CID 8621990
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 17056405

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine (CID 8622797) is (1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine is C[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1.
What is the InChIKey of (1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine?
The InChIKey is JFQCCEHEJLUUFD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18ClNO/c1-14(15-6-3-2-4-7-15)21-13-18-10-11-19(22-18)16-8-5-9-17(20)12-16/h2-12,14,21H,13H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine?
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine has a molecular weight of 311.81 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 8622797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).