N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride

C14H17Cl2NO — CID 17156343

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1ccc(-c2ccc(Cl)cc2)o1.Cl
InChIInChI=1S/C14H16ClNO.ClH/c1-10(2)16-9-13-7-8-14(17-13)11-3-5-12(15)6-4-11;/h3-8,10,16H,9H2,1-2H3;1H
InChIKeyLOZLCLXGYMYEGP-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.52
Rot. Bonds4

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride (PubChem CID 17156343) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride
PubChem CID17156343
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1ccc(-c2ccc(Cl)cc2)o1.Cl
InChIInChI=1S/C14H16ClNO.ClH/c1-10(2)16-9-13-7-8-14(17-13)11-3-5-12(15)6-4-11;/h3-8,10,16H,9H2,1-2H3;1H
InChIKeyLOZLCLXGYMYEGP-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride (CID 17156343) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride is CC(C)NCc1ccc(-c2ccc(Cl)cc2)o1.Cl.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride?
The InChIKey is LOZLCLXGYMYEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO.ClH/c1-10(2)16-9-13-7-8-14(17-13)11-3-5-12(15)6-4-11;/h3-8,10,16H,9H2,1-2H3;1H.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propan-2-amine;hydrochloride has a molecular weight of 286.20 g/mol, XLogP of 4.52, 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]propan-2-amine;hydrochloride is sourced from PubChem (CID 17156343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).