N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine

C21H16ClNO — CID 91674310

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine
SMILESClc1ccc(-c2ccc(CNc3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C21H16ClNO/c22-18-8-5-16(6-9-18)21-12-11-20(24-21)14-23-19-10-7-15-3-1-2-4-17(15)13-19/h1-13,23H,14H2
InChIKeyUECPCQLRBCAQQG-UHFFFAOYSA-N
MW333.82 g/mol
LogP6.37
Rot. Bonds4

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine (PubChem CID 91674310) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine
PubChem CID91674310
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine
SMILESClc1ccc(-c2ccc(CNc3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C21H16ClNO/c22-18-8-5-16(6-9-18)21-12-11-20(24-21)14-23-19-10-7-15-3-1-2-4-17(15)13-19/h1-13,23H,14H2
InChIKeyUECPCQLRBCAQQG-UHFFFAOYSA-N
XLogP6.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine
CID 60780199
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylaniline
CID 91674302
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline
CID 91674289
2-chloro-5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzoic acid
CID 17058476
5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one
CID 73220451
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]acetonitrile;hydrochloride
CID 17332098
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 9339433
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332097
N-(4-chlorophenyl)-4-naphthalen-2-ylaniline
CID 58202585
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide
CID 6287373
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17332091

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine (CID 91674310) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine is Clc1ccc(-c2ccc(CNc3ccc4ccccc4c3)o2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine?
The InChIKey is UECPCQLRBCAQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c22-18-8-5-16(6-9-18)21-12-11-20(24-21)14-23-19-10-7-15-3-1-2-4-17(15)13-19/h1-13,23H,14H2.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine has a molecular weight of 333.82 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine is sourced from PubChem (CID 91674310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).