N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine

C17H15ClN2 — CID 65028486

IUPACN-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine
SMILESClCc1cccc(CNc2ccnc3ccccc23)c1
InChIInChI=1S/C17H15ClN2/c18-11-13-4-3-5-14(10-13)12-20-17-8-9-19-16-7-2-1-6-15(16)17/h1-10H,11-12H2,(H,19,20)
InChIKeyADSWXHCLBZQFNB-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.59
Rot. Bonds4

About N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine

N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine (PubChem CID 65028486) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine
PubChem CID65028486
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC NameN-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine
SMILESClCc1cccc(CNc2ccnc3ccccc23)c1
InChIInChI=1S/C17H15ClN2/c18-11-13-4-3-5-14(10-13)12-20-17-8-9-19-16-7-2-1-6-15(16)17/h1-10H,11-12H2,(H,19,20)
InChIKeyADSWXHCLBZQFNB-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
1-[3-(chloromethyl)phenyl]-N-(quinolin-4-ylmethyl)methanamine
CID 79232514
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N-[4-(chloromethyl)phenyl]quinolin-4-amine
CID 65029423
N-[[3-[(benzylamino)methyl]phenyl]methyl]-7-ethylquinolin-4-amine
CID 70920378
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 44819633
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
N-ethylquinolin-4-amine
CID 15306588
N-[(3-chlorophenyl)methyl]-6-pyridin-4-ylquinolin-4-amine
CID 175312103
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
CID 66472775

Frequently Asked Questions

What is the IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine?
The IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine (CID 65028486) is N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine?
The canonical SMILES for N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine is ClCc1cccc(CNc2ccnc3ccccc23)c1.
What is the InChIKey of N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine?
The InChIKey is ADSWXHCLBZQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-11-13-4-3-5-14(10-13)12-20-17-8-9-19-16-7-2-1-6-15(16)17/h1-10H,11-12H2,(H,19,20).
What are the key properties of N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine?
N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine has a molecular weight of 282.77 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 65028486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).