N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine

C14H16ClNO — CID 43178081

IUPACN-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2ccccc2Cl)o1
InChIInChI=1S/C14H16ClNO/c1-10-7-8-14(17-10)11(2)16-9-12-5-3-4-6-13(12)15/h3-8,11,16H,9H2,1-2H3
InChIKeyNLNOXYALIRNANV-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.09
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine

N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 43178081) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID43178081
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2ccccc2Cl)o1
InChIInChI=1S/C14H16ClNO/c1-10-7-8-14(17-10)11(2)16-9-12-5-3-4-6-13(12)15/h3-8,11,16H,9H2,1-2H3
InChIKeyNLNOXYALIRNANV-UHFFFAOYSA-N
XLogP4.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421
1-(5-methylfuran-2-yl)-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 43234666
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43194719
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 47008361
N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222018
N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 63378794
1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 61017877
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (CID 43178081) is N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCc2ccccc2Cl)o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is NLNOXYALIRNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-10-7-8-14(17-10)11(2)16-9-12-5-3-4-6-13(12)15/h3-8,11,16H,9H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 249.74 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 43178081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).