3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine

C17H21BrN2O — CID 107081248

IUPAC3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
SMILESCN(CC1CCCCO1)c1nc2ccccc2cc1CBr
InChIInChI=1S/C17H21BrN2O/c1-20(12-15-7-4-5-9-21-15)17-14(11-18)10-13-6-2-3-8-16(13)19-17/h2-3,6,8,10,15H,4-5,7,9,11-12H2,1H3
InChIKeyNSRNRTCOWVXUED-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.14
Rot. Bonds4

About 3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine

3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine (PubChem CID 107081248) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
PubChem CID107081248
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
SMILESCN(CC1CCCCO1)c1nc2ccccc2cc1CBr
InChIInChI=1S/C17H21BrN2O/c1-20(12-15-7-4-5-9-21-15)17-14(11-18)10-13-6-2-3-8-16(13)19-17/h2-3,6,8,10,15H,4-5,7,9,11-12H2,1H3
InChIKeyNSRNRTCOWVXUED-UHFFFAOYSA-N
XLogP4.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
CID 107079806
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
CID 107081479
4-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 107081247
3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 107081149
2-N,4-N-dimethyl-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 80796036
3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine
CID 107082571
6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271711
4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid
CID 63868694
3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432563
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 107081253

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine (CID 107081248) is 3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine is CN(CC1CCCCO1)c1nc2ccccc2cc1CBr.
What is the InChIKey of 3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine?
The InChIKey is NSRNRTCOWVXUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(12-15-7-4-5-9-21-15)17-14(11-18)10-13-6-2-3-8-16(13)19-17/h2-3,6,8,10,15H,4-5,7,9,11-12H2,1H3.
What are the key properties of 3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine?
3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine has a molecular weight of 349.27 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 107081248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).