N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine

C12H13ClN2O — CID 60664381

IUPACN-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCC(NCc1ccc(Cl)o1)c1ccccn1
InChIInChI=1S/C12H13ClN2O/c1-9(11-4-2-3-7-14-11)15-8-10-5-6-12(13)16-10/h2-7,9,15H,8H2,1H3
InChIKeySKBKCVAMPOXRQD-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.18
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine

N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 60664381) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID60664381
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCC(NCc1ccc(Cl)o1)c1ccccn1
InChIInChI=1S/C12H13ClN2O/c1-9(11-4-2-3-7-14-11)15-8-10-5-6-12(13)16-10/h2-7,9,15H,8H2,1H3
InChIKeySKBKCVAMPOXRQD-UHFFFAOYSA-N
XLogP3.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 103605434
(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
CID 78978055
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951148
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401866
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
(2R)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318256
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate
CID 81401586

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine (CID 60664381) is N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine is CC(NCc1ccc(Cl)o1)c1ccccn1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is SKBKCVAMPOXRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-9(11-4-2-3-7-14-11)15-8-10-5-6-12(13)16-10/h2-7,9,15H,8H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine?
N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 236.70 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 60664381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).