2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine

C13H15BrN2 — CID 80674407

IUPAC2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
SMILESCN(CCBr)Cc1cccc2cccnc12
InChIInChI=1S/C13H15BrN2/c1-16(9-7-14)10-12-5-2-4-11-6-3-8-15-13(11)12/h2-6,8H,7,9-10H2,1H3
InChIKeyIRRJZRXGRGWNTP-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.06
Rot. Bonds4

About 2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine

2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine (PubChem CID 80674407) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
PubChem CID80674407
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
SMILESCN(CCBr)Cc1cccc2cccnc12
InChIInChI=1S/C13H15BrN2/c1-16(9-7-14)10-12-5-2-4-11-6-3-8-15-13(11)12/h2-6,8H,7,9-10H2,1H3
InChIKeyIRRJZRXGRGWNTP-UHFFFAOYSA-N
XLogP3.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 112809377
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 54899417
2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 55184038
1-methoxy-3-[methyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 62016123
N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 54984195
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 129427598
trans-(1S,2S)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 96567800

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine?
The IUPAC name of 2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine (CID 80674407) is 2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine is CN(CCBr)Cc1cccc2cccnc12.
What is the InChIKey of 2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine?
The InChIKey is IRRJZRXGRGWNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-16(9-7-14)10-12-5-2-4-11-6-3-8-15-13(11)12/h2-6,8H,7,9-10H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine?
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine has a molecular weight of 279.18 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 80674407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).