N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride

C12H14ClNO — CID 17386544

IUPACN-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride
SMILESCl.c1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C12H13NO.ClH/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12;/h1-8,13H,9-10H2;1H
InChIKeyUALMNGOHJCUQGG-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.99
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride

N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride (PubChem CID 17386544) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride
PubChem CID17386544
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride
SMILESCl.c1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C12H13NO.ClH/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12;/h1-8,13H,9-10H2;1H
InChIKeyUALMNGOHJCUQGG-UHFFFAOYSA-N
XLogP2.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride (CID 17386544) is N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride is Cl.c1ccc(CNCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride?
The InChIKey is UALMNGOHJCUQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.ClH/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12;/h1-8,13H,9-10H2;1H.
What are the key properties of N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride?
N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 17386544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).