N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine

C12H11Cl2NO — CID 60658982

IUPACN-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
SMILESClc1ccc(CNCc2ccccc2Cl)o1
InChIInChI=1S/C12H11Cl2NO/c13-11-4-2-1-3-9(11)7-15-8-10-5-6-12(14)16-10/h1-6,15H,7-8H2
InChIKeyKLHDAXFVVCOCEO-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.88
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine

N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine (PubChem CID 60658982) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
PubChem CID60658982
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
SMILESClc1ccc(CNCc2ccccc2Cl)o1
InChIInChI=1S/C12H11Cl2NO/c13-11-4-2-1-3-9(11)7-15-8-10-5-6-12(14)16-10/h1-6,15H,7-8H2
InChIKeyKLHDAXFVVCOCEO-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60659041
5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242812
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
CID 43178065
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
3-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoic acid
CID 17212798
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine
CID 60658991
methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate
CID 4724267
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine (CID 60658982) is N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine is Clc1ccc(CNCc2ccccc2Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine?
The InChIKey is KLHDAXFVVCOCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c13-11-4-2-1-3-9(11)7-15-8-10-5-6-12(14)16-10/h1-6,15H,7-8H2.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine?
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine has a molecular weight of 256.13 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine is sourced from PubChem (CID 60658982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).