N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine

C21H24ClNO — CID 4723694

IUPACN-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine
SMILESClc1cccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)c1
InChIInChI=1S/C21H24ClNO/c22-18-3-1-2-17(9-18)20-5-4-19(24-20)13-23-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16,23H,6-8,10-13H2
InChIKeyPGJARRUCELISIW-UHFFFAOYSA-N
MW341.88 g/mol
LogP5.66
Rot. Bonds4

About N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine (PubChem CID 4723694) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine
PubChem CID4723694
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine
SMILESClc1cccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)c1
InChIInChI=1S/C21H24ClNO/c22-18-3-1-2-17(9-18)20-5-4-19(24-20)13-23-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16,23H,6-8,10-13H2
InChIKeyPGJARRUCELISIW-UHFFFAOYSA-N
XLogP5.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.88
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-phenylfuran-2-yl)methylamino]adamantan-1-ol
CID 17216751
[(1R)-1-(1-adamantyl)ethyl]-[[5-(3-chlorophenyl)furan-2-yl]methyl]azanium
CID 8622776
N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine
CID 43756966
N-[(5-cyclopenta-1,3-dien-1-ylfuran-2-yl)methyl]adamantan-1-amine
CID 118215691
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
CID 17332202
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17332172
[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium
CID 8622800
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4723727
3-[[5-(4-bromophenyl)furan-2-yl]methylamino]adamantan-1-ol
CID 17216765
[5-(3-chlorophenyl)furan-2-yl]methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium
CID 8622786
(3R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 42278713

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine (CID 4723694) is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine is Clc1cccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine?
The InChIKey is PGJARRUCELISIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO/c22-18-3-1-2-17(9-18)20-5-4-19(24-20)13-23-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16,23H,6-8,10-13H2.
What are the key properties of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine?
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine has a molecular weight of 341.88 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 4723694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).