(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine

C17H18N2O — CID 105378594

IUPAC(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine
SMILESCc1ccc2cc(CN[C@@H](C)c3ccco3)ccc2n1
InChIInChI=1S/C17H18N2O/c1-12-5-7-15-10-14(6-8-16(15)19-12)11-18-13(2)17-4-3-9-20-17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyDKFXJZUWGOQDMO-ZDUSSCGKSA-N
MW266.34 g/mol
LogP3.99
Rot. Bonds4

About (1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine

(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine (PubChem CID 105378594) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine
PubChem CID105378594
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine
SMILESCc1ccc2cc(CN[C@@H](C)c3ccco3)ccc2n1
InChIInChI=1S/C17H18N2O/c1-12-5-7-15-10-14(6-8-16(15)19-12)11-18-13(2)17-4-3-9-20-17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyDKFXJZUWGOQDMO-ZDUSSCGKSA-N
XLogP3.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 105378592
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
1-(furan-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437580
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
CID 105378393
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
CID 105378632
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine (CID 105378594) is (1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine is Cc1ccc2cc(CN[C@@H](C)c3ccco3)ccc2n1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine?
The InChIKey is DKFXJZUWGOQDMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-5-7-15-10-14(6-8-16(15)19-12)11-18-13(2)17-4-3-9-20-17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine?
(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 105378594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).