3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine

C18H17ClN2O — CID 123925563

IUPAC3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine
SMILESNc1nc2ccc(OCCc3ccccc3)cc2cc1CCl
InChIInChI=1S/C18H17ClN2O/c19-12-15-10-14-11-16(6-7-17(14)21-18(15)20)22-9-8-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H2,20,21)
InChIKeyQMIBAJKBRBGUCB-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.18
Rot. Bonds5

About 3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine

3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine (PubChem CID 123925563) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine
PubChem CID123925563
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine
SMILESNc1nc2ccc(OCCc3ccccc3)cc2cc1CCl
InChIInChI=1S/C18H17ClN2O/c19-12-15-10-14-11-16(6-7-17(14)21-18(15)20)22-9-8-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H2,20,21)
InChIKeyQMIBAJKBRBGUCB-UHFFFAOYSA-N
XLogP4.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2,6-bis(2-phenylethoxy)naphthalene
CID 121473068
2-(3-phenylpropoxy)naphthalene
CID 13432986
6-ethoxy-3-phenylquinolin-2-amine;hydrochloride
CID 43866041
4-chloro-7-(2-phenylethoxy)quinoline
CID 78324294
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
3-(2-phenylethoxy)benzamide
CID 17135006
[4-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 62188885
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide
CID 1460030
2-[3-(2-phenylethoxy)phenoxy]ethylhydrazine
CID 170002736
benzyl 6-butoxyquinoline-2-carboxylate
CID 90291187
2,4-diamino-6-[3-(2-phenylethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397662
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine?
The IUPAC name of 3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine (CID 123925563) is 3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine?
The canonical SMILES for 3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine is Nc1nc2ccc(OCCc3ccccc3)cc2cc1CCl.
What is the InChIKey of 3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine?
The InChIKey is QMIBAJKBRBGUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-12-15-10-14-11-16(6-7-17(14)21-18(15)20)22-9-8-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H2,20,21).
What are the key properties of 3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine?
3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine has a molecular weight of 312.80 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(2-phenylethoxy)quinolin-2-amine is sourced from PubChem (CID 123925563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).