(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine

C19H17Cl2NO — CID 8622609

IUPAC(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
SMILESC[C@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C19H17Cl2NO/c1-13(14-5-3-2-4-6-14)22-12-18-7-8-19(23-18)15-9-16(20)11-17(21)10-15/h2-11,13,22H,12H2,1H3/t13-/m0/s1
InChIKeyKJGPUONUIWDZEC-ZDUSSCGKSA-N
MW346.26 g/mol
LogP6.10
Rot. Bonds5

About (1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine

(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine (PubChem CID 8622609) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is (1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
PubChem CID8622609
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC Name(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
SMILESC[C@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C19H17Cl2NO/c1-13(14-5-3-2-4-6-14)22-12-18-7-8-19(23-18)15-9-16(20)11-17(21)10-15/h2-11,13,22H,12H2,1H3/t13-/m0/s1
InChIKeyKJGPUONUIWDZEC-ZDUSSCGKSA-N
XLogP6.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8622717
dimethyl 5-[5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 8638607
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
methyl 4-[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]benzoate
CID 8636505
(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622629
(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622634
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
(1R)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 29187702
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17332091
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 17056405
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine (CID 8622609) is (1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine is C[C@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1.
What is the InChIKey of (1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine?
The InChIKey is KJGPUONUIWDZEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c1-13(14-5-3-2-4-6-14)22-12-18-7-8-19(23-18)15-9-16(20)11-17(21)10-15/h2-11,13,22H,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine?
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine has a molecular weight of 346.26 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 8622609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).