N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine

C19H17Cl2NO — CID 4724269

IUPACN-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
SMILESCc1c(Cl)cccc1-c1ccc(CNCc2ccccc2Cl)o1
InChIInChI=1S/C19H17Cl2NO/c1-13-16(6-4-8-17(13)20)19-10-9-15(23-19)12-22-11-14-5-2-3-7-18(14)21/h2-10,22H,11-12H2,1H3
InChIKeyYOWCGNOTDMHVJO-UHFFFAOYSA-N
MW346.26 g/mol
LogP5.85
Rot. Bonds5

About N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine

N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine (PubChem CID 4724269) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
PubChem CID4724269
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC NameN-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
SMILESCc1c(Cl)cccc1-c1ccc(CNCc2ccccc2Cl)o1
InChIInChI=1S/C19H17Cl2NO/c1-13-16(6-4-8-17(13)20)19-10-9-15(23-19)12-22-11-14-5-2-3-7-18(14)21/h2-10,22H,11-12H2,1H3
InChIKeyYOWCGNOTDMHVJO-UHFFFAOYSA-N
XLogP5.85
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 ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
N'-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 4724375
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210608
2-[3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214305
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209848
(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol
CID 8636993
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 78895208
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
CID 60658982
2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724276
2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid
CID 82119349

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine?
The IUPAC name of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine (CID 4724269) is N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine.
What is the SMILES notation for N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine?
The canonical SMILES for N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine is Cc1c(Cl)cccc1-c1ccc(CNCc2ccccc2Cl)o1.
What is the InChIKey of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine?
The InChIKey is YOWCGNOTDMHVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c1-13-16(6-4-8-17(13)20)19-10-9-15(23-19)12-22-11-14-5-2-3-7-18(14)21/h2-10,22H,11-12H2,1H3.
What are the key properties of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine?
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine has a molecular weight of 346.26 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine is sourced from PubChem (CID 4724269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).